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P-Nitrophenylacetonitrile

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P-Nitrophenylacetonitrile / CAS : 555-21-5

Appearance Cream to yellow crystalline powder UN 3439
HS 29269095 DG Class 6.1
Synonyms 4-Nitrobenzyl Cyanide; 2-(4-Nitrophenyl)Acetonitrile; 4-Nitrophenylacetonitrile; Benzeneacetonitrile, 4-Nitro-; P-Nitrobenzyl Cyanide; P-Nitrobenzylcyanide; Acetonitrile, (p-Nitrophenyl)-; (p-Nitrophenyl)Acetonitrile; (4-Nitrophenyl)Acetonitrile; 4-Nitro-Benzyl-Cyanid; (4-Nitro-Phenyl)-Acetonitrile
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Properties

Summary

Formula
C8H6N2O2
Molecular Mass
162.14500
Exact Mass
162.04300
PSA
69.61000
Logp
2.18408
IUPAC
2-(4-nitrophenyl)acetonitrile
SMILES
C1=CC(=CC=C1CC#N)[N+](=O)[O-]

Attribute classification

Matter Classification
organic
Category
API & Intermediate > Pharmaceutical Intermediates

Chemical and Physical Properties

Melting Point
113-115 °C(lit.)
Density
1.272 g/cm3
Boiling Point
195-197 °C (12.0016 mmHg)
Flash Point
157.2ºC
Appearance
Cream to yellow crystalline powder

Export information

HS Code
29269095
Export Rebate
13%
UN No.
3439
DG-Class
6.1
Risk Code
R20/21/22
Safety Label
Xn

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