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Product Name: 3-Chloro-4-Methylphenyl Isocyanate
Chemical Formula: C8H6ClNO
Synonyms: 3-Chloro-4-methylphenyl isocyanate, m-Chloro-p-methylphenyl isocyanate
CAS Number: 4052-74-2
Recommended Use: Organic chemical synthesis, laboratory research
Supplier Details: Chemical supplier details provided on packaging, with emergency contact produced on transport manifest
Emergency Number: Chemtrec 1-800-424-9300 (USA), regional equivalents for international transport
GHS Classification: Acute Toxicity, inhalation: Category 2; Skin Irritation: Category 2; Eye Damage: Category 1; Respiratory Sensitizer: Category 1; Skin Sensitizer: Category 1
Signal Word: Danger
Hazard Statements: Toxic if inhaled; Causes severe eye damage; Causes skin irritation; May cause allergic skin and respiratory reaction
Pictograms: Skull and crossbones, exclamation mark, health hazard, corrosion
Precautionary Statements: Avoid breathing dust/fume/gas/mist/vapors/spray; Use only outdoors or in a well-ventilated area; Wear protective gloves/protective clothing/eye protection/face protection; If inhaled: Remove person to fresh air and keep comfortable; If in eyes: Rinse cautiously with water for several minutes
Routes of Entry: Inhalation, skin, eye contact
Target Organs: Respiratory system, skin, eyes
Chemical Identity: 3-Chloro-4-Methylphenyl Isocyanate
Concentration: 99% and above (technical grade)
Impurities: Trace levels of related clorinated isocyanates and methylphenyl derivatives
Additives: None known
Inhalation: Remove to fresh air immediately; keep person warm and at rest; provide oxygen if breathing is difficult; seek medical attention even if symptoms subside
Skin Contact: Remove contaminated clothing; wash affected skin with large amounts of soap and water; do not reuse soiled garments before proper washing; seek medical advice for irritation or persistent symptoms
Eye Contact: Immediately flush with lukewarm water for at least 20 minutes, lifting eyelids to thoroughly rinse; do not allow victim to rub eyes; seek emergency ophthalmological attention
Ingestion: Rinse mouth thoroughly; do not induce vomiting; seek immediate medical intervention
Note to Physicians: Treatment should focus on maintaining oxygenation, controlling bronchospasm, and symptomatic care; monitor for delayed onset symptoms including pulmonary edema or allergic effects
Suitable Extinguishing Media: Carbon dioxide, dry chemical powder, alcohol-resistant foam; avoid water stream as may spread product
Special Hazards Arising from Chemical: Combustion produces toxic fumes of nitrogen oxides, hydrochloric acid, phosgene, isocyanate vapors
Protective Equipment: Full protective suits and self-contained breathing apparatus required; keep upwind and avoid inhalation of fumes
Advice for Firefighters: Isolate hazard area, use remote handling techniques, keep containers cool with water spray if possible; prevent runoff into drains or waterways
Personal Precautions: Evacuate non-essential personnel; ventilate area before entry; wear respirator, chemical-resistant gloves, safety goggles, and full protective clothing
Environmental Precautions: Prevent spillage from reaching sewers, soil, surface or groundwater; use diking or inert absorbent materials such as sand or vermiculite
Spill Cleanup Methods: Contain and collect spillage with non-reactive tools; use chemical absorbents followed by placing waste in sealed containers for hazardous waste disposal; decontaminate area with dilute ammonia solution if possible; ventilate and wash affected area after cleanup
Reporting Requirements: Notify local authorities of significant spills as per regulatory frameworks
Precautions for Safe Handling: Only trained personnel should open containers; minimize aerosol generation and use local exhaust; avoid skin and eye contact; never pipet by mouth; ensure all handling is carried out in a fume hood
Safe Storage Conditions: Store in tightly closed original containers, away from moisture, acids, bases, alcohols, and oxidizing agents; maintain temperature below 25°C (77°F) and avoid direct sunlight; store in a well-ventilated, designated corrosive-proof area with secondary containment
Incompatible Materials: Strong bases, acids, alcohols, amines, oxidizers; reacts violently with water and many organic compounds
Packaging Materials: Use corrosion-resistant or fluoropolymer-lined containers for storage and transfer
Control Parameters: Occupational exposure limit (OEL) for isocyanates, typically 0.02 mg/m³ as TWA, though specific value for this compound can follow local regulatory authority
Engineering Controls: Chemical fume hood, explosion-proof exhaust ventilation, eyewash and safety showers accessible in working area
Personal Protective Equipment (PPE): Air-purifying or positive-pressure supplied-air respirators with organic vapor cartridges; chemical-resistant gloves (butyl rubber, nitrile); flame-retardant lab coat; chemical splash goggles and full-face shield
Hygiene Measures: Do not eat, drink, or smoke in work area; wash hands and face thoroughly after handling; remove contaminated clothing before leaving laboratory
Appearance: Off-white to light yellow crystalline solid or viscous liquid
Odor: Sharp, pungent acrid odor characteristic of isocyanates
Melting Point: 46-50°C
Boiling Point: 277°C at 760 mmHg
Flash Point: >110°C (closed cup)
Flammability: Not classified as flammable, but can burn with difficulty
Explosive Properties: Presents no known explosive hazard under normal conditions
Vapor Pressure: Low at room temperature, higher under heat or agitation
Density: Approximately 1.27 g/cm³ at 25°C
Solubility: Not soluble in water; hydrolyzes rapidly forming CO₂ and corrosive intermediates; soluble in non-polar organic solvents such as dichloromethane, toluene
pH (aqueous solution): Reacts violently with water
Partition Coefficient (log Kow): Not readily available; significant for research on bioaccumulation
Chemical Stability: Stable under recommended storage conditions, sensitive to heat, moisture and light
Reactivity: Violent hydrolysis with evolution of toxic gases in contact with water; reacts with alcohols, amines, and acids leading to possible exothermic polymerization or decomposition
Hazardous Decomposition Products: Nitrogen oxides, phosgene, chlorine, carbon monoxide, carbon dioxide
Conditions to Avoid: Water, moist air, high temperature, sources of ignition
Incompatible Materials: Water, alcohols, amines, acids, bases, strong oxidizers
Acute Toxicity: LD50 (oral, rat): 220 mg/kg; LC50 (inhalation, rat, vapor): 20 ppm (4h); harmful if inhaled, ingested or absorbed through skin
Skin Corrosion/Irritation: Causes severe irritation and possible chemical burns
Serious Eye Damage/Irritation: Causes permanent damage to eyes
Respiratory or Skin Sensitization: Evidence of sensitization reactions in laboratory studies; may trigger asthma attacks or dermatitis
Germ Cell Mutagenicity: No information available from standard battery test; use with caution pending definitive research
Carcinogenicity: Data on related isocyanates suggest possible carcinogenic potential through chronic exposure
Reproductive Toxicity: No robust studies, believed to be low risk below occupational limits
STOT (Specific Target Organ Toxicity): May cause respiratory irritation, central nervous system symptoms, pulmonary edema in overdose
Symptoms of Exposure: Sore throat, coughing, shortness of breath, chest tightness, skin and eye redness, potential delayed effects up to 24 hours after exposure
Ecotoxicity: Highly toxic to aquatic life; rapid hydrolysis in water forms hazardous by-products
Persistence and Degradability: Not persistent in environment; undergoes rapid degradation via hydrolysis forming aromatic amines
Bioaccumulative Potential: Expected to be low based on molecule characteristics and rapid reactivity in natural environment
Mobility in Soil: Strongly reactive, not mobile; binds to soil and degrades; leaching unlikely
Other Adverse Effects: Toxic hydrolysis products can persist for days in aquatic environment; chronic low level releases impact sensitive aquatic organisms
Disposal Methods: Must be treated as hazardous chemical waste; incinerate in a chemical incinerator equipped with scrubbers; consult licensed and regulated hazardous waste disposal vendor
Product Waste: Neutralize carefully with water and dilute ammonia under fume hood before waste disposal; do not pour untreated waste to sewer or environment
Contaminated Packaging: Dispose of as hazardous waste; do not attempt to clean containers for reuse; follow local and national regulations
Legal Obligations: All disposals to comply with relevant local, state, and federal environmental agencies and RCRA (U.S.) or equivalent global regulations
UN Number: UN2206
UN Proper Shipping Name: Isocyanates, toxic, solid, n.o.s. (3-Chloro-4-Methylphenyl Isocyanate)
Transport Hazard Class: 6.1 (Toxic substances)
Packing Group: II
Marine Pollutant: Yes
Special Precautions: Must be transported in sealed, labeled, and secure containers; keep away from foodstuffs, oxidizers, and acids; provide appropriate hazard labeling in accordance with ADR, IMDG, IATA, and DOT regulations
Regulatory Status: Subject to restriction under OSHA Hazard Communication Standard, EPA TSCA (U.S.), REACH (EU), and equivalent global chemical registration schemes
SARA Title III: Listed as extremely hazardous; subject to Section 302, 304, and 313 reporting requirements
California Proposition 65: Not listed specifically, but related isocyanates may be regulated due to cancer warning
WHMIS (Canada): D1A: Very toxic material causing immediate and serious toxic effects; D2B: Toxic material causing other effects
Other Requirements: SDS/MSDS required for all workplace handling; strict labeling and worker training programs advised; chemical inventory reporting mandated under Community Right-to-Know laws
