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Isocyanatocyclohexane Structure

Isocyanatocyclohexane

Chemical Properties

Melting point -80 °C
Boiling point 168-170 °C(lit.)
Density  0.98 g/mL at 25 °C(lit.)
vapor pressure  1.83 psi ( 20 °C)
refractive index  n20/D 1.455(lit.)
Flash point 120 °F
storage temp.  Flammables area
solubility  Chloroform (Sparingly)
form  Liquid
color  Clear colorless to light amber
Odor sharp pungent odor
Water Solubility  decomposes
Sensitive  Moisture Sensitive
BRN  507983
Henry's Law Constant 5.8×10-3 mol/(m3Pa) at 25℃, HSDB (2015)
Exposure limits ACGIH: TWA 25 ppm; STEL 50 ppm
OSHA: Ceiling 50 ppm(300 mg/m3)
NIOSH: IDLH 200 ppm; Ceiling 50 ppm(300 mg/m3)
Stability Stability Flammable. Incompatible with water, strong oxidizing agents, alcohols, strong bases, amines, acids, copper alloys, aluminium. May polymerize if exposed to moisture.
InChI 1S/C7H11NO/c9-6-8-7-4-2-1-3-5-7/h7H,1-5H2
InChIKey KQWGXHWJMSMDJJ-UHFFFAOYSA-N
SMILES O=C=NC1CCCCC1
CAS DataBase Reference 3173-53-3(CAS DataBase Reference)
NIST Chemistry Reference Cyclohexylisocyanate(3173-53-3)
EPA Substance Registry System Cyclohexyl isocyanate (3173-53-3)

Safety Information

Hazard Codes  T+,N
Risk Statements  10-21/22-26-36/37/38-42-50-34
Safety Statements  26-28-36/37-45-57-36/37/39-29-28A-23-16
RIDADR  UN 2488
WGK Germany  2
RTECS  NQ8650000
F  10-19-21
TSCA  TSCA listed
HazardClass  6.1
PackingGroup  I
HS Code  29291090
Storage Class 3 - Flammable liquids
Hazard Classifications Acute Tox. 2 Inhalation
Acute Tox. 4 Dermal
Acute Tox. 4 Oral
Eye Irrit. 2
Flam. Liq. 3
Resp. Sens. 1
Skin Irrit. 2
Skin Sens. 1
STOT SE 3
Hazardous Substances Data 3173-53-3(Hazardous Substances Data)

MSDS

Usage And Synthesis

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