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2-(Trifluoromethyl)benzyl chloride

View entire compound with spectra: 2 NMR, 3 FTIR, and 1 Raman

2-(Trifluoromethyl)benzyl chloride
SpectraBase Compound ID 7zMYVapqX6b
InChI InChI=1S/C8H6ClF3/c9-5-6-3-1-2-4-7(6)8(10,11)12/h1-4H,5H2
InChIKey BBXDMCQDLOCXRA-UHFFFAOYSA-N
Mol Weight 194.58 g/mol
Molecular Formula C8H6ClF3
Exact Mass 194.011012 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JsngLiPZKNo
Name 2-(Trifluoromethyl)benzyl chloride
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 250708
CAS Registry Number 21742-00-7
Copyright Copyright © 2021-2025 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H6ClF3
InChI 1S/C8H6ClF3/c9-5-6-3-1-2-4-7(6)8(10,11)12/h1-4H,5H2
InChIKey BBXDMCQDLOCXRA-UHFFFAOYSA-N
Observed nucleus 1H
Purity 97%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms alpha'-Chloro-alpha,alpha,alpha-trifluoro-o-xylene
Wiley ID SIAL_1HNMR_004253