102-36-3

Name Isocyanic acid 3,4-dichlorophenyl ester
CAS 102-36-3
EINECS(EC#) 203-026-2
Molecular Formula C7H3Cl2NO
MDL Number MFCD00002017
Molecular Weight 188.01
MOL File 102-36-3.mol

Chemical Properties

Appearance 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
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
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 102-36-3(EPA Substance)

Safety Data

Hazard Codes  T
Risk Statements 
R23:Toxic by inhalation.
R36/37/38:Irritating to eyes, respiratory system and skin .
R42:May cause sensitization by inhalation.
Safety Statements 
S22:Do not breathe dust .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
RIDADR  UN 2250 6.1/PG 2
WGK Germany  2
RTECS  NQ8760000
F  1-8-10-19
TSCA  Yes
REACH Registrations Active
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)

Raw materials And Preparation Products

Hazard Information

Material Safety Data Sheet(MSDS)

Supplier