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2-Nitro-4-(Trifluoromethyl)Benzonitrile

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2-Nitro-4-(Trifluoromethyl)Benzonitrile / CAS : 778-94-9

Appearance solidYellow crystalline block UN 3276
HS 29420000 DG Class 6.1
Synonyms Benzonitrile, 2-Nitro-4-(Trifluoromethyl)-; 4-Cyano-3-Nitrobenzotrifluoride; 2-Nitro-4-Fluoromethylbenzonitrile; 2-Nitro-4-Trifluoromethylbenzotrile
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Properties

Summary

Formula
C8H3F3N2O2
Molecular Mass
216.12
Exact Mass
216.01500
PSA
69.61000
Logp
3.00848
IUPAC
2-nitro-4-(trifluoromethyl)benzonitrile
SMILES
C1=CC(=C(C=C1C(F)(F)F)[N+](=O)[O-])C#N

Attribute classification

Matter Classification
organic
Category
Organic Chemical Materials > Aromatic Compounds

Chemical and Physical Properties

Melting Point
44-47 °C(lit.)
Density
1.5604 (estimate)
Boiling Point
156-158 °C18 mm Hg(lit.)
Flash Point
>230 °F
Appearance
solidYellow crystalline block

Export information

HS Code
29420000
Export Rebate
13%
UN No.
3276
DG-Class
6.1
Risk Code
36/37/38-20/21/22-36/38
Safety Label
Xi,T,Xn

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