4-Nitrobenzeneacetonitrile

  • 4-Nitrobenzyl cyanide
  • 4-Nitrophenylacetonitrile
  • p-Nitrobenzeneacetonitrile
  • p-Nitro-a-tolunitrile
  • (p-Nitrophenyl)acetonitrile
Formula
4-(NO2)C6H4CH2CN
Structure
Description
Cream needles.
Uses
Substance is used in the prepn of p-nitrophenylacetic acid.

Registry Numbers and Inventories.
CAS
555-21-5
EC (EINECS/ELINCS)
209-085-0
R 20/21/22
S 22 36/37
RTECS
AM1250000
RTECS class
Other
UN (DOT)
2811
Merck
12,6688
Beilstein/Gmelin
388442
Beilstein Reference
4-09-00-01689
Canada DSL/NDSL
NDSL
US TSCA
Listed
New Zealand
Listed

Properties.
Formula
C8H6N2O2
Formula mass
162.15
Melting point, °C
108 - 113
Boiling point, °C
336
Vapor pressure, mmHg
0.00011 (25 C)
Solubility in water
Slightly soluble
Partition coefficient, pKow
1.18
Heat of vaporization
57.9 kJ/mol

Hazards and Protection.
Storage
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. Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Avoid ingestion and inhalation.
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
A respiratory protection program that meets OSHA's 29 CFR 1910.134 and ANSI Z88.2 requirements or European Standard EN 149 must be followed whenever workplace conditions warrant a respirator's use.
Small spills/leaks
Sweep up, then place into a suitable container for disposal. Avoid generating dusty conditions. Provide ventilation.
Disposal code
6
Stability
Stable under normal temperatures and pressures.
Incompatibilities
Strong oxidizing agents, strong reducing agents, strong acids, strong bases.
Decomposition
Nitrogen oxides, carbon monoxide, irritating and toxic fumes and gases, carbon dioxide, nitrogen.

Fire.
Flash Point,°C
157
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. To extinguish fire use water spray, dry chemical, carbon dioxide, or appropriate foam.
Fire potential
Non-combustible, substance itself does not burn but may decompose upon heating to produce corrosive and/or toxic fumes.
Hazards
Contact with metals may evolve flammable hydrogen gas.
Combustion products
Fire may produce irritating, corrosive and/or toxic gases.
Health
2
 
Flammability
0
 
 
Reactivity
0
 

Health.
Exposure effects
Effects may be delayed.
   Ingestion
May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated. Metabolism may release cyanide, which may result in headache, dizziness, weakness, collapse, unconsciousness and possible death.
   Inhalation
May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated. May be metabolized to cyanide which in turns act by inhibiting cytochrome oxidase impairing cellular respiration.
   Skin
May cause skin irritation. May be metabolized to cyanide which in turn acts by inhibiting cytochrome oxidase impairing cellular respiration. The toxicological properties of this material have not been fully investigated.
   Eyes
May cause eye irritation.

First aid
 
   Ingestion
Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water.
   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
Immediately flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.

Transport.
UN number
2811
Response guide
Hazard class
6.1
Packing Group
I; II; III
 
HS Code
2926 90 95