3634-83-1

Name 1,3-Bis(isocyanatomethyl)benzene
CAS 3634-83-1
EINECS(EC#) 222-852-4
Molecular Formula C10H8N2O2
MDL Number MFCD00019917
Molecular Weight 188.18
MOL File 3634-83-1.mol

Chemical Properties

Melting point  -7°C
Boiling point  88-90 °C/0.02 mmHg (lit.)
density  1.202 g/mL at 20 °C(lit.)
vapor pressure  0.021Pa at 20℃
refractive index  n20/D 1.451
Fp  42°C
storage temp.  2-8°C
solubility  Chloroform (Sparingly), Methanol (Slightly)
form  clear liquid
color  Colorless to Light yellow
BRN  781825
Stability: Hygroscopic, Moisture sensitive
InChI 1S/C10H8N2O2/c13-7-11-5-9-2-1-3-10(4-9)6-12-8-14/h1-4H,5-6H2
InChIKey RTTZISZSHSCFRH-UHFFFAOYSA-N
SMILES O=C=NCc1cccc(CN=C=O)c1
LogP 3.215 (est)
CAS DataBase Reference 3634-83-1(CAS DataBase Reference)
EPA Substance Registry System 3634-83-1(EPA Substance)

Safety Data

Symbol(GHS)  Flame (GHS02)Corrosion (GHS05)Skull and Crossbones (GHS06)Health Hazard (GHS08)
GHS02,GHS05,GHS06,GHS08
Signal word  Danger
Hazard statements  H226-H315-H317-H318-H330-H334-H370-H372-H412
Precautionary statements  P210-P273-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338
Hazard Codes  C
Risk Statements 
R10:Flammable.
R34:Causes burns.
R42:May cause sensitization by inhalation.
Safety Statements 
S16:Keep away from sources of ignition-No smoking .
S23:Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer) .
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 2920 8/PG 2
WGK Germany  2
RTECS  NR0147000
8-10-19-21
TSCA  TSCA listed
REACH Registrations Active
HazardClass  6.1
PackingGroup  II
HS Code  29291090
Storage Class 3 - Flammable liquids
Hazard Classifications Acute Tox. 2 Inhalation
Aquatic Chronic 3
Eye Dam. 1
Flam. Liq. 3
Resp. Sens. 1
Skin Irrit. 2
Skin Sens. 1A
STOT RE 1 Inhalation
STOT SE 1 Inhalation
Safety Profile
Moderately toxic by ingestion. A severe skin and eye irritant. A sensitizer. A flammable liquid. When heated to decomposition it emits very toxic fumes of NOx. See also ISOCYANATES.
Toxicity
mouse,LD50,oral,840mg/kg (840mg/kg),Takeda Kenkyusho Ho. Journal of the Takeda Research Laboratories. Vol. 39, Pg. 202, 1980.

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