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2-Phenylacetoacetonitrile

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2-Phenylacetoacetonitrile / CAS : 4468-48-8

Appearance Grey white powder crystalline powder UN 3439
HS 29269090 DG Class 6.1
Synonyms Benzeneacetonitrile, α-Acetyl-; 3-Oxo-2-Phenylbutanenitrile; α-Acetylphenylacetonitrile; Apaan
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Properties

Summary

Formula
C10H9NO
Molecular Mass
159.18500
Exact Mass
159.06800
PSA
40.86000
Logp
1.88278
IUPAC
3-oxo-2-phenylbutanenitrile
SMILES
CC(=O)C(C#N)C1=CC=CC=C1

Attribute classification

Matter Classification
organic
Category
API & Intermediate > Pharmaceutical Intermediates

Chemical and Physical Properties

Melting Point
92-94 °C(lit.)
Density
1.086g/cm3
Boiling Point
235.6ºC at 760 mmHg
Flash Point
96.3ºC
Appearance
Grey white powder crystalline powder

Export information

HS Code
29269090
Export Rebate
13%
UN No.
3439
DG-Class
6.1
Risk Code
R20/21/22; R36/37/38
Safety Label
Xn

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