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4-Chloro-3-(Trifluoromethyl)Phenyl Isocyanate

4-Chloro-3-(Trifluoromethyl)Phenyl Isocyanate / CAS : 327-78-6

Appearance White to yellowish low melting point solid, powder or bulk UN 2206
HS 29291090 DG Class 6.1
Synonyms 4-Chloro-3-(Trifluoromethyl)Phenyl Isocyanate; Sorafenib Intermediate 3; Isocyanic Acid 4-Chloro-3-(Trifluoromethyl)Phenyl Ester; 1-Chloro-4-Isocyanato-2-Trifluoromethylbenzene; 3-Trifluoromethyl-4-Chloro-Phenyl Isocyanate; 4-Cl-3Cf3-Phenyl Isocyanate; 1-Chloro-4-Isocyanato-2-(Trifluoromethyl)Benzene; 4-Chloro-3-(Trifluoromethyl)Phenylisocyanate
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Properties

Summary

Formula
C8H3ClF3NO
Molecular Mass
221.56400
Exact Mass
220.98600
PSA
29.43000
Logp
3.32610
IUPAC
1-chloro-4-isocyanato-2-(trifluoromethyl)benzene
SMILES
C1=CC(=C(C=C1N=C=O)C(F)(F)F)Cl

Attribute classification

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

Chemical and Physical Properties

Melting Point
40-42 °C
Density
1.4 g/cm3
Boiling Point
86-90 °C
Flash Point
211 °F
Appearance
White to yellowish low melting point solid, powder or bulk
Acidity and Basicity
reducibility

Export information

HS Code
29291090
Export Rebate
13%
UN No.
2206
DG-Class
6.1
Risk Code
R20/21/22; R36/37/38
Safety Label
Xn

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