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HomeProduct name listIsocyanic acid 3,4-dichlorophenyl ester

Isocyanic acid 3,4-dichlorophenyl ester

  • CAS NO.:102-36-3
  • Empirical Formula: C7H3Cl2NO
  • Molecular Weight: 188.01
  • MDL number: MFCD00002017
  • EINECS: 203-026-2
  • SAFETY DATA SHEET (SDS)
  • Update Date: 2024-08-19 05:41:50
Isocyanic acid 3,4-dichlorophenyl ester Structural

What is Isocyanic acid 3,4-dichlorophenyl ester?

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

The Uses of Isocyanic acid 3,4-dichlorophenyl ester

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

The Uses of Isocyanic acid 3,4-dichlorophenyl ester

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

Properties of Isocyanic acid 3,4-dichlorophenyl ester

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
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 for Isocyanic acid 3,4-dichlorophenyl ester

Signal word Danger
Pictogram(s)
ghs
Skull and Crossbones
Acute Toxicity
GHS06
ghs
Health Hazard
GHS08
GHS Hazard Statements H301:Acute toxicity,oral
H315:Skin corrosion/irritation
H317:Sensitisation, Skin
H319:Serious eye damage/eye irritation
H332:Acute toxicity,inhalation
H334:Sensitisation, respiratory
H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
Precautionary Statement Codes P280:Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352:IF ON SKIN: wash with plenty of soap and water.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

Computed Descriptors for Isocyanic acid 3,4-dichlorophenyl ester

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