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CAS Number: 80418-13-9
1-(4-bromophenyl)-2,2,2-trifluoroethanol

Structure

1-(4-bromophenyl)-2,2,2-trifluoroethanol
Name: 1-(4-bromophenyl)-2,2,2-trifluoroethanol
Synonyms:
General Information
Product Number: 80418139

CAS Registry Number 80418-13-9
Name:
Benzenemethanol, 4-​bromo-​α-​(trifluoromethyl)​-​, (αS)​-
Benzenemethanol, 4-bromo-α-(trifluoromethyl)-, (S)-
(2S)-1-(4-Bromophenyl)-2,2,2-trifluoroethanol
(S)-1-(4-Bromophenyl)-2,2,2-trifluoroethanol
(S)-2,2,2-Trifluoro-1-(4-bromophenyl)ethanol

 

Chemical Formula: C8H6BrF3O
Exact Mass: 253.96
Molecular Weight: 255.03
m/z: 253.96 (100.0%), 255.95 (97.3%), 254.96 (8.8%), 256.96 (8.5%)

 

InChI:InChI=1S/C8H6BrF3O/c9-6-3-1-5(2-4-6)7(13)8(10,11)12/h1-4,7,13H/t7-/m0/s1

InChI Key:PHWPRSZULISLMK-ZETCQYMHSA-N

Canonical SMILES:C1=CC(=CC=C1C(C(F)(F)F)O)Br

Specification

98%

References
  1. (1) Slungard, Sigrid Volden; Tetrahedron 2011, V67(31), P5642-5650 CAPLUS
  2. (2) Matsuda, Tomoko; Journal of Organic Chemistry 2000, V65(1), P157-163 CAPLUS
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