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2-Phenylacetoacetonitrile

    • Product Name 2-Phenylacetoacetonitrile
    • Alias 2-Phenyl-3-oxobutyronitrile
    • Einecs 211-591-7
    • Mininmum Order 1 g
    • Factory Site Tengfei Creation Center,55 Jiangjun Avenue, Jiangning District,Nanjing
    • Price Inquiry sales7@sinochem-nanjing.com
    • Manufacturer Sinochem Nanjing Corporation
    • CONTACT NOW
    VTB
    Specifications

    HS Code

    682359

    Cas Number 4468-48-8
    Molecular Formula C10H9NO
    Molecular Weight 159.19 g/mol
    Iupac Name 2-phenyl-3-oxopropanenitrile
    Appearance White to off-white crystalline powder
    Melting Point 62-66°C
    Boiling Point 308°C at 760 mmHg
    Density 1.139 g/cm³
    Solubility Slightly soluble in water; soluble in organic solvents
    Synonyms 2-Phenylacetonitrile, 2-oxo-; Benzylacetyl cyanide
    Smiles CC(=O)CC#N
    Inchi InChI=1S/C10H9NO/c11-8-7-10(12)9-5-3-1-2-4-6-9/h1-6H,7H2

    As an accredited 2-Phenylacetoacetonitrile factory, we enforce strict quality protocols—every batch undergoes rigorous testing to ensure consistent efficacy and safety standards.

    Packing & Storage
    Packing 2-Phenylacetoacetonitrile, 100g: Sealed amber glass bottle with screw cap, labeled with product name, quantity, CAS number, and hazard warnings.
    Shipping **Shipping Description for 2-Phenylacetoacetonitrile:** 2-Phenylacetoacetonitrile should be shipped in tightly sealed containers, protected from moisture and direct sunlight. It must be handled as a chemical substance, with proper labeling and compliance with local and international regulations for transport of hazardous materials. Avoid sources of ignition, and ensure appropriate documentation accompanies the shipment.
    Storage 2-Phenylacetoacetonitrile should be stored in a tightly closed container, in a cool, dry, and well-ventilated area away from incompatible substances such as strong oxidizers and acids. Protect from moisture and direct sunlight. Store at room temperature. Proper chemical labeling and secure shelving are recommended to prevent spills or accidental contact. Follow local regulations for hazardous chemical storage.
    Application of 2-Phenylacetoacetonitrile

    Applications of 2-Phenylacetoacetonitrile in Industrial Manufacturing

    As an integrated chemical raw material producer, we deliver 2-Phenylacetoacetonitrile to global manufacturers specializing in tightly regulated, high-value chemistry sectors. The following application scenarios reflect real downstream industries using this intermediate in precisely controlled processes where regulatory compliance, process consistency, and formulation accuracy are paramount.

    1. Pharmaceutical Intermediate for Antihypertensive APIs

    Pharmaceutical manufacturers utilize this intermediate during the multi-step synthesis of specific antihypertensive active pharmaceutical ingredients, most notably for the preparation of sartans. The compound’s reactivity enables selective functionalization in the core step of the API synthesis. The exact stage and loading are determined by process optimization to meet impurity, yield, and cost requirements while adhering to regulatory documentation for API registration.

    Industry compliance standards

    • Current Good Manufacturing Practice (cGMP) under 21 CFR Parts 210/211 (FDA)
    • ICH Q7 Guidelines for Active Pharmaceutical Ingredients
    • European Pharmacopoeia monographs (where applicable)
    • US DMF referencing and process transparency

    Typical usage ratio

    • 0.75–1.2 molar equivalents relative to the target intermediate; final ratio refined during process scale-up to minimize unreacted material and control impurity profiles.

    Downstream process integration

    • Charged into the synthesis reactor after base hydrolysis of prior intermediate, followed by alkylation or cyclization steps. QC monitors the conversion at this point, ensuring batch uniformity and ease of downstream purification.

    Final product types

    • Losartan potassium, candesartan cilexetil, irbesartan, and related API bulk substances.

    2. Agrochemical Intermediate in Pesticide Synthesis

    Producers in the agrochemical sector incorporate this nitrile as a key building block for constructing pyrazole and other nitrogen-containing heterocyclic cores that underpin potent herbicidal and insecticidal actives. These processes demand tight control of side-reactions that can cause soil or crop toxicity, hence validated input quality and pathway transparency are critical throughout downstream manufacturing.

    Industry compliance standards

    • FAO/WHO Specifications for Pesticides
    • ISO 9001:2015 Quality Management Systems for agrochemical intermediates
    • China ICAMA (Institute for the Control of Agrochemicals, Ministry of Agriculture) certification for exported intermediates
    • REACH registration for European market entry

    Typical usage ratio

    • 1.0–1.5 w/w% based on the batch size of downstream pyrimidine or pyrazole synthesis; tuning depends on targeted yield and conversion rates specific to the crop protection molecule being synthesized.

    Downstream process integration

    • Added during the condensation phase after halide pre-activation; serves as a nucleophile in cyclization steps facilitated by strong bases or metal catalysts.

    Final product types

    • Herbicide actives such as penoxsulam, insecticide intermediates for pyrazole-based products.

    3. Fine Chemical Intermediate for Dyes and Pigments

    Manufacturers in the specialty dyes and pigment industry employ this raw material for the synthesis of specific high-performance azo pigments and specialty colorants. Stringent controls over process parameters and toxicological limits govern its use, especially since some finished pigments find end-use in printing inks or plastics destined for packaging, automotive, or textile applications with indirect food contact.

    Industry compliance standards

    • EN 71-3 (Safety of Toys – Migration of Certain Elements)
    • OEKO-TEX Standard 100 for textile-destined colorants
    • Toy Safety Directive 2009/48/EC for pigment use in children’s articles
    • ISO 9001-compliant SQC for specialty colorants

    Typical usage ratio

    • 0.5–2.0 w/w% dependent on pigment molecular architecture and target color intensity; adjusted based on chromatography analysis of reaction conversion and pigment performance properties.

    Downstream process integration

    • Introduced during the diazotization or condensation step for the construction of heterocyclic or benzene ring systems in advanced pigment synthesis lines.

    Final product types

    • Azo and anthraquinone dyes, specialty pigments for plastics and industrial coatings, inkjet printing colorants, high-stability textile dyes.

    4. Intermediate for Fragrance & Aroma Compounds

    Producers of aroma chemicals utilize this intermediate to construct precursors for various phenyl-substituted esters and ketones, which are further processed into fine fragrances and flavors for the food, beverage, and household product industries. Purity and traceability from the raw material are critical due to direct and indirect contact with consumer goods.

    Industry compliance standards

    • IFRA (International Fragrance Association) Standards for safe use in perfumery
    • FEMA GRAS listings for aroma ingredients
    • ISO 9001:2015 for quality management in flavor and fragrance manufacturing
    • JECFA specifications for food flavorings

    Typical usage ratio

    • 0.3–1.0 w/w%, tailored based on downstream esterification or hydrolysis steps and desired aromatic compound purity. Optimization follows sensory panel feedback in finished blends.

    Downstream process integration

    • Deployed in the initial condensation phase for developing key fragrance ketones or in selective reduction workflows for food-grade aroma constituents. Analytical chemistry confirms structure before trans-esterification and blending.

    Final product types

    • Phenylalkyl esters, aromatic ketones for luxury fragrances, flavoring base notes in beverages, fruit and floral tonality enhancers in processed food flavors.
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