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2-Bromo-1-chloro-4-(trifluoromethyl)benzene

View entire compound with spectra: 4 NMR, 5 FTIR, 1 Raman, and 2 MS (GC)

2-Bromo-1-chloro-4-(trifluoromethyl)benzene
SpectraBase Compound ID EZQ2lQWg6Aa
InChI InChI=1S/C7H3BrClF3/c8-5-3-4(7(10,11)12)1-2-6(5)9/h1-3H
InChIKey APSISOSWYXCEQX-UHFFFAOYSA-N
Mol Weight 259.45 g/mol
Molecular Formula C7H3BrClF3
Exact Mass 257.905875 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4TpEGLG6ReJ
Name 3-Bromo-4-chlorobenzotrifluoride
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 365750
CAS Registry Number 454-78-4
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H3BrClF3
InChI InChI=1S/C7H3BrClF3/c8-5-3-4(7(10,11)12)1-2-6(5)9/h1-3H
InChIKey APSISOSWYXCEQX-UHFFFAOYSA-N
Observed nucleus 13C
Purity 97%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms 3-Bromo-4-chloro-alpha,alpha,alpha-trifluorotoluene
Wiley ID SIAL_13CNMR_007719