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4-(Trifluoromethyl)Benzonitrile

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4-(Trifluoromethyl)Benzonitrile / CAS : 455-18-5

Appearance White solid UN 1325
HS 29269090 DG Class 4.1
Synonyms Benzonitrile, 4-(Trifluoromethyl)-; 4-Cyanobenzotrifluoride; Trifluoro-P-Tolunitrile; Alpha,Alpha,Alpha-Trifluoro-P-Tolunitrile; 4-(Trifluoromethyl)Benzonitrile; α,α,α-Trifluoro-P-Tolunitrile
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Properties

Summary

Formula
C8H4F3N
Molecular Mass
171.11900
Exact Mass
171.03000
PSA
23.79000
Logp
2.57708
IUPAC
4-(trifluoromethyl)benzonitrile
SMILES
C1=CC(=CC=C1C#N)C(F)(F)F

Attribute classification

Matter Classification
organic
Category
API & Intermediate > Pharmaceutical Intermediates
Agrochemicals > Pesticide Intermediates

Chemical and Physical Properties

Melting Point
39-41 °C
Density
1.278 g/mL
Boiling Point
80-81 °C
Flash Point
161 °F
Appearance
White solid
Acidity and Basicity
alkalinity

Export information

HS Code
29269090
Export Rebate
13%
UN No.
1325
DG-Class
4.1
Risk Code
R20/21/22-11
Safety Label
Xn,F

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