4-Chloro-3-(trifluoromethyl)phenyl isocyanate

About This Item

Molecular Formula	C₈H₃ClF₃NO
CAS Number	327-78-6

FC-0387375

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Properties

Chemical Identifiers

IUPAC Name	1-chloro-4-isocyanato-2-(trifluoromethyl)benzene
SMILES	C1=CC(=C(C=C1N=C=O)C(F)(F)F)Cl
InChI Key	NBJZEUQTGLSUOB-UHFFFAOYSA-N
InChI	InChI=1S/C8H3ClF3NO/c9-7-2-1-5(13-4-14)3-6(7)8(10,11)12/h1-3H

Physical Properties

Boiling Point	201.7±0.0 °C at 760 mmHg
Melting Point	40-42 °C(lit.)
Flash Point	99.4±0.0 °C
Density	1.4±0.1 g/cm3

Safety Information

Hazard Class

Danger

Flash Point

99.4±0.0 °C

Please refer to the Safety Data Sheet (SDS) for complete handling, storage, and disposal instructions. Follow all applicable regulations when working with this chemical reagent.