Isocyanic acid 3,4-dichlorophenyl ester Chemical Properties

Melting point:

41-43 °C(lit.)

Boiling point:

118-120 °C18 mm Hg(lit.)

Density 

1.3256 (rough estimate)

vapor pressure 

0.2 mm Hg ( 20 °C)

refractive index 

1.5750 (estimate)

Flash point:

>230 °F

form 

powder to lump

color 

White to Almost white

Odor

wh. to yel. cryst. solid with irritating odor

Water Solubility 

decomposes

Sensitive 

Moisture Sensitive

BRN 

608325

LogP

3.88

CAS DataBase Reference

102-36-3(CAS DataBase Reference)

NIST Chemistry Reference

Benzene, 1,2-dichloro-4-isocyanato-(102-36-3)

EPA Substance Registry System

3,4-Dichlorophenyl isocyanate (102-36-3)

Safety Information

Hazard Codes 

T

Risk Statements 

23-36/37/38-42

Safety Statements 

22-26-36/37/39-45

RIDADR 

UN 2250 6.1/PG 2

WGK Germany 

2

RTECS 

NQ8760000

F 

1-8-10-19

TSCA 

Yes

HazardClass 

6.1

PackingGroup 

II

HS Code 

29291090

Hazardous Substances Data

102-36-3(Hazardous Substances Data)

MSDS

• Language:English Provider:Isocyanic acid 3,4-dichlorophenyl ester
• Language:English Provider:ACROS
• Language:English Provider:SigmaAldrich
• Language:English Provider:ALFA

Isocyanic acid 3,4-dichlorophenyl ester Usage And Synthesis

Description

The dichlorophenyl isocyanates are combustible, crystalline (sugar- or sand-like) solids. In general, theyare white to yellow in color, but the 1,4-dichloro-2-phenylisomer is white to light green. Their flash points are generally .113℃ but that of the 1,3-dichloro-2-phenyl isomer isreported as 77℃. These chemicals are insoluble in water,and some may be reactive. 1,2-dichloro-4-isomer (CAS102-36-3) is the isomer of regulatory focus: Freezing/Melting point=42-43℃. Molecular weight=188.01;Boiling point=243℃; Freezing/Melting point=42℃.Reacts with water.

Chemical Properties

White low melting solid

Chemical Properties

The dichlorophenyl isocyanates are combustible, crystalline (sugar or sand-like) solids. In general, they are white to yellow in color, but the 1,4-dichloro-2-phenyl isomer is white to light green. Their flash points are generally .113C but that of the 1,3-dichloro-2-phenyl isomer is reported as 77C. These chemicals are insoluble in water, and some may be reactive. 1,2-dichloro-4-isomer (CAS 102-36-3) is the isomer of regulatory focus

Uses

Methyl-labeled diuron was prepared by the reaction of 3,4-dichlorophenyl- isocyanate with C '"labeled dimethylamine.Substituted urea derivatives were prepared by reacting 3,4-dichlorophenyl isocyanate with amino acids, dipeptides, histamine. The R- and S-isomers and RS-racemate of MBPU were synthesized by allowing equimolar quantities of 3,4-dichlorophenyl- isocyanate

Uses

3,4-Dichlorophenyl isocyanate was used in the synthesis of 1,5-disubstituted-2-thiobiuret derivatives via reaction with thioureido-containing aromatic/heterocyclic sulfonamides.

General Description

White to yellow solid. Used as a chemical intermediate and in organic synthesis.

Reactivity Profile

Isocyanates and thioisocyanates, such as Isocyanic acid 3,4-dichlorophenyl ester, 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.

Health Hazard

Strong irritant to tissue, especially eyes and mucous membranes

Fire Hazard

Inhalation of dust is poisonous; fire may produce irritating or poisonous gases.

Flammability and Explosibility

Not classified

Potential Exposure

Those materials used as chemical intermediates

First aid

If this chemical gets into the eyes, remove anycontact lenses at once and irrigate immediately for at least15 min, occasionally lifting upper and lower lids. Seek medical attention immediately. If this chemical contacts theskin, remove contaminated clothing and wash immediatelywith soap and water. Seek medical attention immediately. Ifthis chemical has been inhaled, remove from exposure,begin rescue breathing (using universal precautions, including resuscitation mask) if breathing has stopped and CPR ifheart action has stopped. Transfer promptly to a medicalfacility. When this chemical has been swallowed, get medical attention. Give large quantities of water and inducevomiting. Do not make an unconscious person vomit.

storage

Color Code—Blue: Health Hazard/Poison: Storein a secure poison location. Prior to working with these chemicals you should be trained on its proper handling and storage. Store to avoid contact with alcohols, strong bases(such as potassium hydroxide and sodium hydroxide), carboxylic acids, amines, and metals since violent reactionsoccur. Store in tightly closed containers in a dry, cool, wellventilated area away from moisture and temperatures above40℃.

Shipping

UN2250 Dichlorophenyl isocyanates, 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 theconcentration 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, and ureas. Elevated temperatures or contact with acids, bases, tertiary amines, and acylchlorides may cause explosive polymerization. Contact with metals may evolve flammable hydrogen gas. Attacks some plastics, rubber, and coatings.

Waste Disposal

Combustion in an incinerator equipped with afterburner and fume scrubber

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