Isocyanic acid 3,4-dichlorophenyl ester

Isocyanic acid 3,4-dichlorophenyl ester
  • CAS No.:102-36-3
Other grades of this product :
Isocyanic acid 3,4-dichlorophenyl ester Basic information
Product Name:Isocyanic acid 3,4-dichlorophenyl ester
Synonyms:DICHLOROPHENYL ISOCYANATES;ISOCYANIC ACID 3,4-DICHLOROPHENYL ESTER;Isocyanicacid-3,4-dichtorophenyl ester;1,2-dichloro-4-phenyl isocyanate;3,4-DICHLOROPHENYL ISOCYANATE;3,4-DICHLOROPHENYLCARBIMIDE;3,4-Dichlorophenyl #niso-cyanate;3,4-DichloroPhenylIsocynate
CAS:102-36-3
MF:C7H3Cl2NO
MW:188.01
EINECS:203-026-2
Product Categories:organic chemical;Isocyanates;Aromatic Isocyanates;Nitrogen Compounds;Organic Building Blocks
Mol File:102-36-3.mol
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)
Fp >230 °F
form powder to lump
color White to Almost white
Water Solubility decomposes
Sensitive Moisture Sensitive
BRN 608325
LogP3.88
CAS DataBase Reference102-36-3(CAS DataBase Reference)
NIST Chemistry ReferenceBenzene, 1,2-dichloro-4-isocyanato-(102-36-3)
EPA Substance Registry System3,4-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
1-8-10-19
TSCA Yes
HazardClass 6.1
PackingGroup II
HS Code 29291090
Hazardous Substances Data102-36-3(Hazardous Substances Data)
MSDS Information
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Isocyanic acid 3,4-dichlorophenyl ester English
SigmaAldrich English
ACROS English
ALFA English
Isocyanic acid 3,4-dichlorophenyl ester Usage And Synthesis
Chemical PropertiesWhite low melting solid
Chemical PropertiesThe 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
UsesMethyl-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
Uses3,4-Dichlorophenyl isocyanate was used in the synthesis of 1,5-disubstituted-2-thiobiuret derivatives via reaction with thioureido-containing aromatic/heterocyclic sulfonamides.
General DescriptionWhite to yellow solid. Used as a chemical intermediate and in organic synthesis.
Reactivity ProfileIsocyanates 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 HazardStrong irritant to tissue, especially eyes and mucous membranes
Fire HazardInhalation of dust is poisonous; fire may produce irritating or poisonous gases.
Flammability and ExplosibilityNotclassified
Potential ExposureThose materials used as chemical intermediates
ShippingUN2250 Dichlorophenyl isocyanates, 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 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 DisposalCombustion in an incinerator equipped with afterburner and fume scrubber
Isocyanic acid 3,4-dichlorophenyl ester Preparation Products And Raw materials
Raw materialsHydrochloric acid-->3,4-Dichloroaniline
Preparation ProductsDiuron-->Linuron-->SWEP-->3,4-DICHLOROPHENYL HYDROXY UREA-->1-(3,4-DICHLOROPHENYL)-3-METHYL UREA

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