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.)

Flash point:

229 °F

storage temp. 

2-8°C

form 

Liquid or Low Melting Solid

color 

Colorless to yellow

Sensitive 

Moisture Sensitive

BRN 

2690771

LogP

3.78

CAS DataBase Reference

28479-22-3(CAS DataBase Reference)

EPA Substance Registry System

3-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

• Language:English Provider:SigmaAldrich
• Language:English Provider:ALFA

3-Chloro-4-methylphenyl isocyanate Usage And Synthesis

Description

Chloromethyl phenyl isocyanate is a colorlessto yellow liquid or beige, low-melting solid. Molecularweight =167.59; Melting point =143℃; Vaporpressure =Very low; Flash point ≥ 93℃. Soluble in water;solubility =33 mg/L at 25℃. Insoluble in water

Chemical Properties

Chloromethyl phenyl isocyanate is a colorless to yellow liquid or beige, low-melting solid. Acrid odor.

Uses

3-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 Description

A 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 Reactions

Flammable. 3-Chloro-4-methylphenyl isocyanate decomposes in water. Substance will react with water (some violently) releasing flammable, toxic or corrosive gases and runoff.

Reactivity Profile

Isocyanates 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 Hazard

TOXIC; 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 Hazard

Combustible 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 Exposure

This material is used in organic synthesis.

First aid

If chloromethyl phenyl isocyanate gets into theeyes, remove any contact lenses at once and irrigate immediately for at least 15 min, occasionally lifting upper andlower lids. Seek medical attention immediately. If thischemical contacts the skin, remove contaminated clothingand wash immediately with soap and water. Seek medicalattention immediately. If this chemical has been inhaled,remove from exposure, begin rescue breathing (using universal precautions, including resuscitation mask) if breathing has stopped and CPR if heart action has stopped.Transfer promptly to a medical facility. When this chemicalhas been swallowed, get medical attention. Give large quantities of water and induce vomiting. Do not make an unconscious person vomit

storage

Color Code—Blue: Health Hazard/Poison: Storein a secure poison location. Prior to working with chloromethyl phenyl isocyanate you should be trained on itsproper handling and storage. Chloromethyl phenyl isocyanate must be stored to avoid contact with acids (such ashydrochloric and nitric), alkalis (such as sodium hydroxideand potassium hydroxide), and amines (like ammonia),since violent reactions occur. Store in tightly closedcontainers in a cool, well-ventilated area away from heat,light, and moisture. Do not store at temperatures above30℃/86
F. Sources of ignition, such as smoking and openflames, are prohibited where 3-Chloro-4-methyl phenyl isocyanate is used, handled, or stored in a manner that couldcreate a potential fire or explosion hazard

Shipping

UN22363-Chloro-4-methylphenyl isocyanate, liquid, Hazard Class: 6.1; Labels: 6.1-Poisonous materials.

Incompatibilities

May 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(28479-22-3)Related Product Information

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• Propyl isocyanate
• ISOCYANATE
• Chloroacetic acid
• Difluorochloromethane
• 3-Chlorophenyl isocyanate
• 3-Chloro-4-methylaniline
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