Benzonitrile

  • Phenyl cyanide
  • Cyanobenzene
Formula
C6H5CN
Structure
Description
Colorless oil, almond like odor.
Uses
In perfumes at a maximum level of 0.2% In the final product.

Registry Numbers and Inventories.
CAS
100-47-0
EC (EINECS/ELINCS)
202-855-7
EC Index Number
608-012-00-3
EC Class
Harmful
R 21/22
RTECS
DI2450000
RTECS class
Mutagen; Primary Irritant
UN (DOT)
2224
Merck
13,1098
Beilstein/Gmelin
506893
Beilstein Reference
4-09-00-00892
Swiss Giftliste 1
G-1240
Canada DSL/NDSL
DSL
US TSCA
Listed
Austrailia AICS
Listed
New Zealand
Listed
Japan ENCS (MITI)
Listed
Korea ECL
Listed

Properties.
Formula
C7H5N
Formula mass
103.12
Melting point, °C
-13
Boiling point, °C
190.7
Vapor pressure, mmHg
0.53 (25 C)
Vapor density (air=1)
3.6
Saturation Concentration
1011 ppm (0.1%) at 25 C (calculated)
Odor Threshold Odor threshold 0.03 ug/L
Critical temperature
426.2
Critical pressure
41.6
Density
1.023 g/cm3 (0 C)
Solubility in water
5 g/L
Viscosity
1.2 cp (25 C)
Surface tension
38.79 g/s2 @ 25 C
Refractive index
1.5289 (20 C)
Dipole moment
3.9 D (20 C)
Dielectric constant
25.2 (25 C)
Partition coefficient, pKow
1.56
Heat of fusion
11.0 kJ/mol
Heat of vaporization
52.3 kJ/mol
Heat of combustion
-3632 kJ/mol

Hazards and Protection.
Storage
Keep away from heat, sparks, and flame. Keep away from sources of ignition. Keep container closed when not in use. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
Handling
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Avoid contact with eyes, skin, and clothing. Empty containers retain product residue, (liquid and/or vapor), and can be dangerous. Keep container tightly closed. Avoid contact with heat, sparks and flame. Avoid ingestion and inhalation. Do not pressurize, cut, weld, braze, solder, drill, grind, or expose empty containers to heat, sparks or open flames.
Protection
Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166. Skin: Wear appropriate protective gloves to prevent skin exposure. Clothing: Wear appropriate protective clothing to prevent skin exposure.
Respirators
Follow the OSHA respirator regulations found in 29CFR 1910.134 or European Standard EN 149. Always use a NIOSH or European Standard EN 149 approved respirator when necessary.
Small spills/leaks
Absorb spill with inert material, (e.g., dry sand or earth), then place into a chemical waste container. Avoid runoff into storm sewers and ditches which lead to waterways. Clean up spills immediately, using the appropriate protective equipment. Remove all sources of ignition. Provide ventilation. Cover solids with a plastic sheet to prevent dissolving in rain or fire fighting waters.
Disposal code
6
Stability
Stable under normal temperatures and pressures.
Incompatibilities
Strong oxidizing agents, strong reducing agents, strong acids, strong bases, air.
Decomposition
Nitrogen oxides, carbon monoxide, carbon dioxide, cyanide fumes, nitrogen.

Fire.
Flash Point,°C
70
Autoignition, °C
550
Upper exp. limit, %
7.2
Lower exp. limit, %
1.4
Fire fighting
Wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. Use water spray to keep fire-exposed containers cool. Combustible Liquid. Containers may explode when heated. Extinguishing media: Do NOT get water inside containers. Do NOT use straight streams of water. For small fires, use dry chemical, carbon dioxide, or water spray. For large fires, use water spray, fog or regular foam. Cool containers with flooding quantities of water until well after fire is out.
Fire potential
Combustible but burns with difficulty.
Hazards
Containers may explode when heated.
Combustion products
Toxic hydrogen cyanide and oxides of nitrogen may form in fire.
Health
1
 
Flammability
2
 
 
Reactivity
0
 

Health.
Poison_Class
2
Exposure effects
Initially, headache, vertigo, and agitation occur, followed by combative behavior, coma, seizures, and death.
   Ingestion
May cause gastrointestinal irritation with nausea, vomiting and diarrhea. May be harmful if swallowed.
   Inhalation
Causes respiratory tract irritation. Effects of inhalation may be delayed.
   Skin
Causes skin irritation. May be harmful if absorbed through the skin. Effects of contact may be delayed.
   Eyes
Causes eye irritation.

First aid
 
   Ingestion
If victim is conscious and alert, give 2-4 cupfuls of milk or water. Never give anything by mouth to an unconscious person. Get medical aid immediately.
   Inhalation
Remove from exposure to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
   Skin
Get medical aid. Flush skin with plenty of soap and water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse.
   Eyes
Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid immediately.

Transport.
UN number
2224
Response guide
Hazard class
6.1
Packing Group
II
 
USCG CHRIS Code
BZN
 
HS Code
2926 90 95
 
Std. Transport #
4921891