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4-Isothiocyanato-2-(Trifluoromethyl)Benzonitrile

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4-Isothiocyanato-2-(Trifluoromethyl)Benzonitrile / CAS : 143782-23-4

Appearance Whitish to white powder UN 0.0
HS 29309090 DG Class 0.0
Synonyms 4-Cyano-3-(Trifluoromethyl)Phenyl Isothiocyanate; Enzalutamide Impurity 2; 4-Cyano-3-(Trifluoromethyl)Phenylisothiocyanate; Benzonitrile, 4-Isothiocyanato-2-(Trifluoromethyl)-; 4-Cyano-3-Trifluoromethylphenylisothiocyanate; 4-Isothiocyanato-2-Trifluoromethylbenzonitrile
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Overview

Uses

Properties

Summary

Formula
C9H3F3N2S
Molecular Mass
228.19400
Exact Mass
227.99700
PSA
68.24000
Logp
3.31138
IUPAC
4-isothiocyanato-2-(trifluoromethyl)benzonitrile
SMILES
C1=CC(=C(C=C1N=C=S)C(F)(F)F)C#N

Attribute classification

Matter Classification
organic
Category
API & Intermediate > Pharmaceutical Intermediates
Organic Chemical Materials > Aromatic Compounds

Chemical and Physical Properties

Melting Point
39.0 to 43.0 °C
Density
1.31 g/cm3
Boiling Point
331℃
Flash Point
154℃
Appearance
Whitish to white powder

Export information

HS Code
29309090
Export Rebate
13%
UN No.
0.0
DG-Class
0.0

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