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5-Bromo-2-chlorobenzotrifluoride

View entire compound with spectra: 3 NMR, 5 FTIR, 2 Raman, and 1 MS (GC)

5-Bromo-2-chlorobenzotrifluoride
SpectraBase Compound ID AzSIzOuOfCp
InChI InChI=1S/C7H3BrClF3/c8-4-1-2-6(9)5(3-4)7(10,11)12/h1-3H
InChIKey XGOCKBMEZPNDPJ-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 7lmGFsqpXzQ
Name 5-Bromo-2-chlorobenzotrifluoride
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 151289
CAS Registry Number 445-01-2
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/c8-4-1-2-6(9)5(3-4)7(10,11)12/h1-3H
InChIKey XGOCKBMEZPNDPJ-UHFFFAOYSA-N
Observed nucleus 13C
Purity 97%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms 5-Bromo-2-chloro-alpha,alpha,alpha-trifluorotoluene
Wiley ID SIAL_13CNMR_001527