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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ki9zTUtdixf
Name 1-Isocyanato-2-(trifluoromethyl)benzene
Alternate Name(s) .alpha.,.alpha.,.alpha.-Trifluoro-o-tolyl isocyanate 2-(Trifluoromethyl)phenyl isocyanate 2-Trifluoromethylphenylaisocyanate Benzene, 1-isocyanato-2-(trifluoromethyl)- Isocyanic acid, .alpha.,.alpha.,.alpha.-trifluoro-o-tolyl ester o-(Trifluoromethyl)phenyl isocyanate BRN 0977056 EINECS 218-925-5
CAS Registry Number 2285-12-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H4F3NO
InChI InChI=1S/C8H4F3NO/c9-8(10,11)6-3-1-2-4-7(6)12-5-13/h1-4H
InChIKey GZWGTVZRRFPVAS-UHFFFAOYSA-N
Molecular Weight 187.121 g/mol
SMILES c1ccc(c(c1)C(F)(F)F)N=C=O
SPLASH splash10-000i-4900000000-c55cc36dbff7d1463c6d
Source of Spectrum W5-1988-14954-0
Wiley ID 1183646