3-Chloro-4-methylphenyl isocyanate

3-Chloro-4-methylphenyl isocyanate Basic information
Product Name:3-Chloro-4-methylphenyl isocyanate
Synonyms:3-Chlore-4-methylphenyl isocyanate;3-CHLORO-4-METHYLPHENYL ISOCYANATE;ISOCYANIC ACID 3-CHLORO-4-METHYLPHENYL ESTER;Isocyanato-3-chloro-4-methyl benzene;3-chloro-p-tolyl isocyanate;3-Chloro-4-MethylPhenylIsocynate;2-CHLORO-4-ISOCYANATO-TOLUENE;3-Chlor-p-tolylisocyanat
CAS:28479-22-3
MF:C8H6ClNO
MW:167.59
EINECS:249-050-7
Product Categories:Isocyanates;Nitrogen Compounds;Organic Building Blocks;Building Blocks;Chemical Synthesis;Nitrogen Compounds;Organic Building Blocks
Mol File:28479-22-3.mol
3-Chloro-4-methylphenyl isocyanate Structure
3-Chloro-4-methylphenyl isocyanate Chemical Properties
Melting point 20-24℃
Boiling point 107 °C/3 mmHg (lit.)
density 1.224 g/mL at 25 °C (lit.)
vapor pressure 13.5Pa at 25℃
refractive index n20/D 1.557(lit.)
Fp 229 °F
storage temp. 2-8°C
form Liquid or Low Melting Solid
color Colorless to yellow
Sensitive Moisture Sensitive
BRN 2690771
LogP3.78
CAS DataBase Reference28479-22-3(CAS DataBase Reference)
EPA Substance Registry System3-Chloro-4-methylphenyl isocyanate (28479-22-3)
Safety Information
Hazard Codes Xn
Risk Statements 20/21/22-36/37/38-42
Safety Statements 23-26-36/37-45
RIDADR UN 2206 6.1/PG 3
WGK Germany 1
TSCA Yes
HazardClass 6.1
PackingGroup II
HS Code 29291090
MSDS Information
ProviderLanguage
SigmaAldrich English
ALFA English
3-Chloro-4-methylphenyl isocyanate Usage And Synthesis
Chemical PropertiesChloromethyl phenyl isocyanate is a colorless to yellow liquid or beige, low-melting solid. Acrid odor.
Uses3-Chloro-4-methylphenyl isocyanate may be used in the synthesis of the following urea compounds:
  • 1-(1-(1-adamantyl)methyl)-3-(3-chloro-4-methylphenyl)urea
  • 1-(3-chloro-4-methylphenyl)-3-heptylurea
  • 1-(3-chloro-4-methylphenyl)-3-cyclooctylurea
  • 1-(3-chloro-4-methylphenyl)-3-(3-fluorobenzyl)urea
  • 1-(3-chloro-4-methylphenyl)-3-(4-phenylbutan-2-yl)urea
General DescriptionA colorless liquid with an acrid odor. Denser than water. Contact may irritate skin, eyes and mucous membranes. Flash point 132°F. Toxic by ingestion, inhalation and skin absorption. Used to make other chemicals.
Air & Water ReactionsFlammable. 3-Chloro-4-methylphenyl isocyanate decomposes in water. Substance will react with water (some violently) releasing flammable, toxic or corrosive gases and runoff.
Reactivity ProfileIsocyanates and thioisocyanates, such as 3-Chloro-4-methylphenyl isocyanate, are incompatible with many classes of compounds, reacting exothermically to release toxic gases. Reactions with amines, aldehydes, alcohols, alkali metals, ketones, mercaptans, strong oxidizers, hydrides, phenols, and peroxides can cause vigorous releases of heat. Acids and bases initiate polymerization reactions in these materials. Some isocyanates react with water to form amines and liberate carbon dioxide. Base-catalysed reactions of isocyanates with alcohols should be carried out in inert solvents. Such reactions in the absence of solvents often occur with explosive violence, [Wischmeyer(1969)].
Health HazardTOXIC; inhalation, ingestion or contact (skin, eyes) with vapors, dusts or substance may cause severe injury, burns or death. Contact with molten substance may cause severe burns to skin and eyes. Reaction with water or moist air will release toxic, corrosive or flammable gases. Reaction with water may generate much heat that will increase the concentration of fumes in the air. Fire will produce irritating, corrosive and/or toxic gases. Runoff from fire control or dilution water may be corrosive and/or toxic and cause pollution.
Fire HazardCombustible material: may burn but does not ignite readily. Substance will react with water (some violently) releasing flammable, toxic or corrosive gases and runoff. When heated, vapors may form explosive mixtures with air: indoors, outdoors and sewers explosion hazards. Most vapors are heavier than air. They will spread along ground and collect in low or confined areas (sewers, basements, tanks). Vapors may travel to source of ignition and flash back. Contact with metals may evolve flammable hydrogen gas. Containers may explode when heated or if contaminated with water.
Potential ExposureThis material is used in organic synthesis.
ShippingUN22363-Chloro-4-methylphenyl isocyanate, liquid, Hazard Class: 6.1; Labels: 6.1-Poisonous materials.
IncompatibilitiesMay form explosive mixture with air. Isocyanates are highly flammable and reactive with many compounds, even with themselves. Incompatible with oxidizers (chlorates, nitrates, peroxides, permanganates, perchlorates, chlorine, bromine, fluorine, etc.); contact may cause fires or explosions. Reaction with moist air, water or alcohols may form amines and insoluble polyureas and react exothermically, releasing toxic, corrosive, or flammable gases, including carbon dioxide; and, at the same time, may generate a violent release of heat increasing the concentration of fumes in the air. Incompatible with amines, aldehydes, alkali metals, ammonia, carboxylic acids, caprolactum, alkaline materials, glycols, ketones, mercaptans, hydrides, organotin catalysts, phenols, strong acids, strong bases, strong reducing agents such as hydrides, urethanes, ureas. Elevated temperatures or contact with acids, bases, tertiary amines, and acyl-chlorides may cause explosive polymerization. Attacks some plastics, rubber, and coatings. Contact with metals may evolve flammable hydrogen gas. May accumulate static electrical charges, and may cause ignition of its vapors. Do not store in temperatures above 30C/86F.
3-Chloro-4-methylphenyl isocyanate Preparation Products And Raw materials
Raw materialsChlorotoluron-->3-Chloro-4-methylaniline-->Dimethylamine-->Triphosgene
Preparation Products1-Piperazinecarboxamide, N-(3-chloro-4-methylphenyl)-
2-CHLORO-6-METHYLPHENYL ISOCYANATE,2-Chloro-6-methylphenyl isocyanate 95+%,2-CHLORO-6-METHYLPHENYL ISOCYANATE 97% Chlorodimethylphenylsilane 2-CHLORO-5-METHYLPHENYL ISOCYANATE 2-CHLORO-5-METHYLPHENYL ISOCYANATE 98 3-Chlorophenyl isocyanate 4-BROMO-2-CHLORO-6-METHYLPHENYL ISOCYANATE Chloroacetic acid Propyl isocyanate Phenyl isocyanate Difluorochloromethane 3-Chloro-4-methylaniline ISOCYANATE 3-CHLORO-4-DIFLUOROMETHYL-PHENYLISOCYANATE 3-Chloro-4-methylphenyl isocyanate P-TOLYL ISOCYANATE Chlorosulfonyl isocyanate Epichlorohydrin Isocyanatocyclohexane

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