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3-(Trifluoromethyl)phenyl isocyanate
SpectraBase Compound ID 25WbSZhnI9o
InChI InChI=1S/C8H4F3NO/c9-8(10,11)6-2-1-3-7(4-6)12-5-13/h1-4H
InChIKey SXJYSIBLFGQAND-UHFFFAOYSA-N
Mol Weight 187.12 g/mol
Molecular Formula C8H4F3NO
Exact Mass 187.024498 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID A9nFcQks8uI
Name ISOCYANIC ACID, alpha,alpha,alpha-TRIFLUORO-m-TOLYL ESTER
Source of Sample Aldrich Chemical Company, Inc., Milwaukee, Wisconsin
Boiling Point 54C/11mm
CAS Registry Number 329-01-1
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Density 1.359
Flash Point 58C
Formula C8H4F3NO
InChI InChI=1S/C8H4F3NO/c9-8(10,11)6-2-1-3-7(4-6)12-5-13/h1-4H
InChIKey SXJYSIBLFGQAND-UHFFFAOYSA-N
Molecular Weight 187.126007
Optical Properties Index of Refraction= (20C) 1.4700
RTECS Number NR0200000
Safety Data Risks and Safety Phrases= SENSITIVE TO MOISTURE; LACHRYMATOR; EMITS TOXIC FUMES OF NOx AND F- WHEN HEATED TO DECOMPOSITION
Synonyms 3-TRIFLUOROMETHYLPHENYL ISOCYANATE alpha,alpha,alpha-TRIFLUORO-m-TOLYL ISOCYANATE ISOCYANIC ACID, A,A,A-TRIFLUORO-M- TOLYL ESTER ISOCYANIC ACID, (m-TRIFLUOROMETHYLPHENYL) ESTER
Technique CAPILLARY CELL: NEAT