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Isocyanic acid 3,4-dichlorophenyl ester Structure

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
Henry's Law Constant 7.7×10-2 mol/(m3Pa) at 25℃, Zhang et al. (2010)
InChI 1S/C7H3Cl2NO/c8-6-2-1-5(10-4-11)3-7(6)9/h1-3H
InChIKey MFUVCHZWGSJKEQ-UHFFFAOYSA-N
SMILES Clc1ccc(cc1Cl)N=C=O
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
WGK Germany  2
RTECS  NQ8760000
F  1-8-10-19
TSCA  TSCA listed
HazardClass  6.1
PackingGroup  II
HS Code  29291090
Storage Class 6.1A - Combustible acute toxic Cat. 1 and 2
very toxic hazardous materials
Hazard Classifications Acute Tox. 2 Inhalation
Acute Tox. 3 Oral
Aquatic Acute 1
Aquatic Chronic 1
Eye Dam. 1
Resp. Sens. 1
Skin Sens. 1A
STOT SE 3
Hazardous Substances Data 102-36-3(Hazardous Substances Data)

MSDS

Usage And Synthesis

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