Chemical and Physical Properties
- 【Storage temp】
- Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
- 【Computed Properties】
- Molecular Weight:135.138343 [g/mol]
Molecular Formula:C8H6FN
XLogP3:1.9
H-Bond Donor:0
H-Bond Acceptor:2
Rotatable Bond Count:1
Exact Mass:135.048427
MonoIsotopic Mass:135.048427
Topological Polar Surface Area:23.8
Heavy Atom Count:10
Formal Charge:0
Complexity:139
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:1
Feature 3D Ring Count:1
Effective Rotor Count:1
Conformer Sampling RMSD:0.4
CID Conformer Count:3
Safety and Handling
- 【Safety】
Poison by intravenous route. When heated to decomposition it emits very toxic fumes of F−, NOx, and CN−. See also FLUORIDES and NITRILES.
Hazard Codes Xn,T,Xi
Risk Statements 20/21/22-36/37/38-20/21/22/36/37/38
Safety Statements 26-36-24/25-26/36/37/39
RIDADR UN 3276 6.1/PG 3
WGK Germany 3
RTECS AM0210000
Hazard Note Toxic
TSCA T
HazardClass 6.1
PackingGroup III
- 【Specification】
Chemical Stability: Not available
Conditions to Avoid: Incompatible materials.
Incompatibilities with Other Materials Strong oxidizing agents.
Hazardous Decomposition Products Carbon monoxide, oxides of nitrogen, carbon dioxide, hydrogen fluoride gas.
Hazardous Polymerization Has not been reported.