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3-Carboxyphenyl Isothiocyanate

    • Product Name 3-Carboxyphenyl Isothiocyanate
    • Alias 3-Isothiocyanatobenzoic acid
    • Einecs 630-878-8
    • Mininmum Order 1 g
    • Factory Site Tengfei Creation Center,55 Jiangjun Avenue, Jiangning District,Nanjing
    • Price Inquiry admin@sinochem-nanjing.com
    • Manufacturer Sinochem Nanjing Corporation
    • CONTACT NOW
    VTB
    Specifications

    HS Code

    249523

    Iupac Name 3-isothiocyanatobenzoic acid
    Cas Number 1958-54-7
    Molecular Formula C8H5NO2S
    Molar Mass 179.20 g/mol
    Appearance Off-white to pale yellow solid
    Melting Point 144-147 °C
    Solubility In Water Slightly soluble
    Boiling Point Decomposes before boiling
    Smiles C1=CC(=CC(=C1)C(=O)O)N=C=S
    Inchi InChI=1S/C8H5NO2S/c10-8(11)6-2-1-3-7(4-6)9-5-12/h1-4H,(H,10,11)

    As an accredited 3-Carboxyphenyl Isothiocyanate factory, we enforce strict quality protocols—every batch undergoes rigorous testing to ensure consistent efficacy and safety standards.

    Packing & Storage
    Packing Packed in a 25g amber glass bottle, tightly sealed, with hazard labeling and product details: "3-Carboxyphenyl Isothiocyanate."
    Shipping 3-Carboxyphenyl Isothiocyanate is shipped in tightly sealed containers, protected from moisture and light. It is handled as a chemical substance, complying with relevant transport regulations. Packaging ensures safe transit, minimizing the risk of leaks or contamination. Appropriate labeling and documentation accompany the shipment, and temperature control is maintained if required.
    Storage 3-Carboxyphenyl Isothiocyanate should be stored in a cool, dry, and well-ventilated area, away from moisture and incompatible substances such as strong acids and bases. Keep the container tightly closed and protected from light. Store at a temperature between 2–8°C (refrigerated) to maintain stability. Clearly label the container and avoid prolonged exposure to air to prevent degradation.
    Application of 3-Carboxyphenyl Isothiocyanate

    Applications of 3-Carboxyphenyl Isothiocyanate in Industrial Manufacturing

    3-Carboxyphenyl isothiocyanate plays a critical role in several downstream sectors requiring advanced functional intermediates. As the original chemical manufacturer, we support custom integration in regulated production environments. Below, we outline key real-world application scenarios, specifying regulatory, operational, and finished product details for each.

    1. Pharmaceutical Intermediates for Targeted Synthesis

    This compound is crucial for synthesizing active pharmaceutical ingredients (APIs), particularly in oncology and autoimmune therapeutics. It introduces functional isothiocyanate moieties essential for molecular coupling steps that improve pharmacokinetic behavior. Downstream users rely on strict batch-to-batch consistency and regulatory traceability during scale-up.

    Industry compliance standards

    • ISO 9001:2015 (Quality Management System)
    • ICH Q7 (Good Manufacturing Practice for APIs)
    • European Pharmacopoeia (Ph. Eur.) and United States Pharmacopeia (USP) monographs related to intermediates
    • REACH (EC No. 1907/2006) registration for market access in the EU

    Typical usage ratio

    • Ranges from 0.3 to 1.2 molar equivalents per target molecule, determined by stoichiometry specific to the targeted synthesis route and downstream reactivity control.

    Downstream process integration

    • Added at the critical conjugation or derivatization stage in multi-step synthesis. QC tests for residual isothiocyanate performed before release to subsequent steps.

    Final product types

    • Cancer therapy intermediates
    • Immunomodulating agent precursors
    • Peptide conjugate building blocks
    • Patented small-molecule pharma candidates

    2. Specialty Agrochemical Synthesis

    The isothiocyanate functionality is a viable handle for constructing selective herbicide and fungicide molecules. Agrochemical firms leverage this raw material to introduce carboxyl-terminated moieties, enhancing field efficacy and soil persistence. Our raw material offers reproducibility in high-yield conversion steps.

    Industry compliance standards

    • FAO/WHO Codex Alimentarius guidelines for pesticide ingredients
    • ISO 17025 (Testing and Calibration Laboratories)
    • OECD Principles of Good Laboratory Practice (GLP)
    • GHS (Globally Harmonized System of Classification and Labeling of Chemicals)

    Typical usage ratio

    • 0.5–2.0% (w/w) of the formulation batch, with adjustments based on reaction efficiency and the structure of the agrochemical target.

    Downstream process integration

    • Introduced during the heterocycle formation or final derivatization phase. Purification follows via crystallization or chromatography to control residuals.

    Final product types

    • Systemic herbicide actives
    • Fungicidal intermediates
    • Pre-emergent crop protection agents
    • Agrochemical research compounds

    3. Dye and Pigment Intermediate Manufacturing

    In the dye industry, this compound participates in the synthesis of advanced azo and sulfur dyes, providing functional carboxyl groups to enhance colorfastness and binding to substrates. Its stability during temperature and pH shifts meets essential criteria for large-scale dye precursor production, supporting the needs of textile and plastics processors.

    Industry compliance standards

    • REACH Annex XVII (restrictions for hazardous dye intermediates in the EU)
    • ECO PASSPORT by OEKO-TEX® certification for auxiliary chemicals
    • DIN EN ISO 11480:2022 (Safety of dyestuffs and pigments)
    • ZDHC MRSL (Zero Discharge of Hazardous Chemicals Manufacturing Restricted Substances List)

    Typical usage ratio

    • 2–8% by mass of the precursor formulation, depending on the color depth and chromophore extension requirements.

    Downstream process integration

    • Employed during diazotization and coupling stages. Controls on pH and temperature optimize yield and minimize formation of hazardous byproducts.

    Final product types

    • Reactive azo dyes for cotton textiles
    • Functional sulfur dyes for synthetic fibers
    • Water-soluble dye intermediates
    • Plastics-compatible pigments

    4. Polymer Modifier and Crosslinking Agent Production

    Manufacturers of specialty polymers use this compound to introduce functional groups for post-polymerization modifications and crosslink density control. It supports production of materials with tailored polarity and reactive end-groups, which improves performance in adhesives, coatings, and specialty elastomers. Our process-grade material ensures batch reproducibility and minimal trace impurities, supporting downstream process reliability.

    Industry compliance standards

    • ISO 14001 (Environmental Management Systems in polymer plants)
    • ISO 11357 (Thermal analysis techniques for plastics)
    • ASTM D3159 (Standard for testing crosslinked polymers)
    • FDA 21 CFR 177.2600 (Indirect food contact—rubber articles, where applicable)

    Typical usage ratio

    • 0.8–3.0 parts per hundred resin (phr), adjusted for targeted mechanical properties and network structure in the final compound.

    Downstream process integration

    • Fed into the prepolymer mixture, facilitating in-situ crosslinking or grafting. Monitored via FTIR to ensure desired degree of modification.

    Final product types

    • Chemically resistant adhesives
    • High-performance coating resins
    • Specialty thermoplastic elastomers
    • Custom-engineered crosslinked rubbers

    5. Diagnostic Reagent Conjugation Chemistry

    Reagent makers exploit the carboxy-isothiocyanate dual functionality when preparing conjugation-ready probes for immunodiagnostics and clinical assays. The isothiocyanate group reacts with amino-functionalized proteins or polymers, while the carboxyl group enhances aqueous solubility and bio-recognition fidelity. This raw material enables high-purity probe production under controlled conditions.

    Industry compliance standards

    • ISO 13485 (Medical Devices—Quality Management)
    • cGMP for Diagnostic Reagents (21 CFR Part 820)
    • CE/IVDR (EU Regulation 2017/746 for in vitro diagnostic medical devices)
    • ISO 14971 (Risk management in medical device production)

    Typical usage ratio

    • 0.1–0.6 equivalents per macromolecule, set via stoichiometric titration against available amino groups and required signal intensity.

    Downstream process integration

    • Used at the conjugation and labeling step, followed by purification steps such as dialysis or size-exclusion chromatography to remove unreacted material and byproducts.

    Final product types

    • Protein-labeling diagnostic reagents
    • Fluorescent antibody probes
    • Enzyme-conjugated labels for ELISA
    • Clinical test kit conjugates
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    Certification & Compliance
    More Introduction

    Introducing 3-Carboxyphenyl Isothiocyanate: A Direct Perspective from the Lab

    3-Carboxyphenyl Isothiocyanate draws regular attention from research labs and chemical processors navigating the intersection of custom synthesis and scalable manufacturing. We started synthesizing this compound years ago after a surge in requests from organic chemists and industry partners. The structure—bearing an isothiocyanate group in the para position relative to a carboxylic acid—offers a unique combination of reactivity and selectivity. Manufacturers and formulators with demanding applications want to know what sets this particular molecule apart from similar isothiocyanates, and our direct experience on the production floor offers a clear picture.

    Why 3-Carboxyphenyl Isothiocyanate Meets Real-World Needs

    In practical terms, 3-Carboxyphenyl Isothiocyanate gives synthetic chemists the flexibility to add functionalized aromatic rings into a broad range of molecular frameworks. Many see the isothiocyanate group as a key player during the design of bioactive compounds and specialty intermediates. This backbone allows rapid assembly of ureas, thioureas, and various heterocycles, supporting multiple routes for medicinal chemistry teams. The carboxylic acid at the meta position doesn't just introduce new opportunities for conjugation; it adds solubility in polar (but not basic) environments, and can be used for selective salt formation. In our batches, the purity routinely exceeds 98% by HPLC, because trace contamination with heavy metals, acids, or solvents creates unpredictable behavior during downstream synthesis. We calibrate our procedures to ensure minimal inorganic residue and consistent particle size, as off-spec lots cost both money and research time.

    For specialty polymer work—or those exploring the modification of surfaces and biomolecule labeling—this isothiocyanate stands out. We’ve supported customers experimenting with antibody-drug conjugation, peptide functionalization, and photochemically cured adhesives. In practice, the carboxyl group both hinders and helps; in bioconjugation, it can occasionally reduce background reactivity compared to unsubstituted phenyl isothiocyanates, but it also opens a second handle for post-conjugation derivatization. Our QC staff pays close attention to side-product formation involving carboxyl activation, since incomplete conversion in the last step can introduce unwanted byproducts. Pure starting material gives end-users tighter control and more consistent outcomes, especially in applications with regulatory or analytical constraints.

    How This Product Differs from Other Isothiocyanates

    We have made a broad range of aromatic and aliphatic isothiocyanates. Customers who’ve used phenyl isothiocyanate (and its 2- or 4-substituted relatives) often ask about practical differences. In our facilities, we avoid batch overlap to prevent cross contamination, as the presence of other isomeric materials limits downstream selectivity. 3-Carboxyphenyl Isothiocyanate displays higher polarity than simple phenyl isothiocyanate, which changes its partitioning behavior and crystallization in isolation protocols. That matters if you process in glass or stainless steel—polar impurities wreak havoc on seals and pumps, affecting yields. Researchers often tell us this variant gives them better control over hydrophilic-hydrophobic balances in their final molecules, compared to non-substituted analogs. This can reveal new options for solubilizing peptides, fine-tuning chromatographic separation, or controlling aggregation in solution.

    Its increased polarity and the presence of a strong acid handle means it tolerates different purification regimes than less-functionalized isothiocyanates. In our shop, this allows us to offer the product as either a solid powder or, on request, as a pre-formed salt. Both approaches help customers tailor their syntheses, but demand a rigorous post-synthesis washing and controlled drying regime—residual moisture alters both solubility and shelf stability. We have learned that over-drying or packaging under non-inert conditions encourages slow hydrolysis, reducing product shelf life and impacting batch-to-batch reproducibility. Those sourcing from traders often receive off-color or low-yielding material because of this overlooked factor.

    Specifications Chosen for Application Success

    If you visit our production suite, you’ll see that we lean heavily on HPLC, NMR, and titration for batch validation. Chromatographic purity never slips below 98% unless a customer requests a technical grade, usually for non-critical polymer work. Moisture content caps at 0.5% to prevent caking or decomposition if stored unopened in a sealed container. We avoid bulk packaging, using nitrogen-flushed glass or polymer jars to keep the active group intact during transit. Many years ago, we learned the hard way that aggressive bagging leads to both surface polymerization and clumping, which frustrates customers trying to reproduce published protocols.

    The melting range (often just above 170°C) can tell a lot about crystal packing and real purity. The sight of a clean melt with no decomposition or residue matches what users expect from research-grade material. Monitoring melting points for drifts lets us quickly catch process drift or inadvertent contamination (back in 2017, a faulty crystallizer led to a string of lower-than-target melting points, and we had to reprocess an entire batch). These internally-driven checks keep us honest; if a batch doesn’t meet spec, we rework or reject it without hesitation. Most traders lack that degree of control, so material from those channels ends up more variable in hands-on research settings.

    Use Cases Stretch from the Bench to Commercial Scale

    3-Carboxyphenyl Isothiocyanate continues to surprise us by the breadth of its applications. A bioconjugation company relies on its specificity for amine groups without excessive side-reactions, leveraging the carboxyl group for secondary modifications—often to introduce charged residues or hydrophilic spacers. One team developing new dyes uses our product as a linker for solid-phase labeling of proteins, finding that our consistent purity levels minimize background noise during spectrometric readout. Medicinal chemists synthesize libraries of benzothiourea analogs with it, reporting that the meta-carboxyl makes purification and analysis less tedious than with para- or ortho-substituted variants.

    We’re also watching new uses in specialty monomers and cross-linking agents for responsive polymer networks. Our commercial partners have relayed that access to benchmark-quality starting material lets them move from milligram trials to kilogram runs without guessing if each batch works the same way. One direct customer working on functional surface coatings needs precise control of reactivity, fearing that traces of isomeric or hydrolyzed material could impact the lifetime of their final product. We support them by keeping detailed batch history, sample retains, and open logs of process modifications—transparency that larger distributors and brokers rarely offer.

    Process Improvements Rooted in Hands-On Experience

    Our synthesis route isn’t improvised; we landed on it after years of scaling pain points. Early on, one major challenge came from the hydrolysis sensitivity of the isothiocyanate. Atmosphere, temperature, and solvent choice all matter. If too much moisture entered during isolation, we would detect byproducts on NMR and see lower yields in our chromatography data. To combat this, we invested in better humidity control and trained operators in moisture-quenching techniques. Our current process—from the chlorination of corresponding ammonium salts to the introduction of the isothiocyanate group—runs tighter than the generic literature methods. Chemists spiking batches see the value, as the product rinses cleaner from filtration and leaves nearly no odor—unlike the sulfurous stench often reported by buyers of low-grade imports.

    Purification deserves special attention. Early in our journey, less-experienced staff would grab at high-throughput crystallization just to save time, but that mindset let fine impurities through that only showed up in final analysis. We tweaked the solvent system and cooling profile, and now retention of polar and nonpolar contaminants is well below what analytical labs consider meaningful. Downstream, we screen for acid stability and reactivity by challenging the product against standard nucleophiles and observing the clean generation of thiourea derivatives. The combination of hands-on adjustments, open feedback from users, and relentless batch analytics has shaped both our process and the quality guarantees our partners now take for granted.

    Addressing Persistent Problems in the Market

    Working directly with end-users over so many cycles, we’ve seen the fallout from low-quality intermediates. Academic groups, for example, share examples where substitution patterns are misrepresented, or where product sold as “pure” contains substantial levels of oily byproducts, leading to misleading synthetic outcomes. Consistency is more than a boast; it comes from understanding daily process variables that affect the final compound’s performance. We share our COAs as soon as a batch is ready, supporting their regulatory and grant-reporting needs. Periodically we get asked to troubleshoot bottlenecks where others can’t: our technical staff reviews the failed reactions, then runs mock-ups using our material under the same conditions, often helping to pinpoint whether raw material or method causes the issue.

    We invest in IT-supported inventory tracking so that customers know the exact origin, date of synthesis, and storage profile for each lot they receive. If a formulation shift happens or a regulatory update arises, we can trace every detail that might contribute to a variation in final application. Many of our long-term partners ask for process validation samples before moving to new synthetic routes. By supporting their method development with fresh, pilot-scale batches, we help them avoid downtime and wasted materials—a commitment that has saved some partners from costly delays when margins are slim and batches are tight.

    Real Benefits for Diverse Industries

    In pharma and biotech, time lost on troubleshooting substandard starting material slows every downstream milestone. Synthetic teams prefer materials whose attributes were optimized using data-driven pilot runs, not just theoretical purity. Polymer chemists and surface scientists prize granular documentation—crucial for validating patents, supporting scale-up, and passing regulatory scrutiny. Diagnostics companies need reagents that behave identically from batch to batch, since reproducibility supports both R&D and regulatory compliance. We stay close to the community, collecting use-case data, learning from their roadblocks, and refining product specs to preempt new needs instead of offering a generic compound with unpredictable lot-to-lot profiles.

    Supporting a Robust Supply Chain

    Recently, as global logistics get more tangled and regulatory rules update faster than ever, buyers weigh the competitive advantage of consistent, transparent local supply over the short-term lure of imported bulk. Our operation remains flexible, shipping fresh material in small or mid-sized lots to avoid long dwell times in uncertain warehouse conditions. We keep buffer stock against known demand swings, reducing lead times and ensuring that labs stay productive even when overseas routes hit bottlenecks. If a partner has an urgent scale-up, we prioritize jobs, coordinating with shipping partners who understand the handling needs of moisture-sensitive and easily degradable organics. It’s not just about delivering a bottle; it’s about providing peace of mind rooted in minimal surprises and maximum control.

    Sharpening the Edge Through Data, People, and Proven Methods

    Our staff—chemist to packager—know that quality is gained through hands-on vigilance. Automated analytics have changed detection limits and made some tasks more efficient, but experience still drives the final judgment in defining an off-spec versus in-spec lot. Lab managers meet weekly to review feedback, surprising findings, or off-the-books troubleshooting stories relayed by partners and academic teams that take our material into territory we never imagined. This loop between customer, technical team, and production operator keeps our learning curve steep and ensures rapid course-correction long before any deviation reaches the hands of an end-user.

    Looking Forward Without Chasing Trends

    3-Carboxyphenyl Isothiocyanate started for us as a specialty reagent in a limited-use niche; it’s grown through feedback, reliability, and a commitment to knowing exactly what our partners actually do with it in the real world. Markets shift and buzzwords come and go, but direct, honest manufacturing—supported by facts, responsive support, and an ongoing willingness to improve—keeps the value real and lasting. Anyone with questions about batch customization, application troubleshooting, or process improvement can expect straightforward, evidence-based answers from people who actually compound, monitor, and package every gram themselves.