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CAS Number: 312-20-9
1-bromo-4-((trifluoromethyl)sulfonyl)benzene

Structure

1-bromo-4-((trifluoromethyl)sulfonyl)benzene
Name: 1-bromo-4-((trifluoromethyl)sulfonyl)benzene
Synonyms:
General Information
Product Number: 312209
CAS Number:
312-20-9
Name:
Benzene,1-bromo-4-[(trifluoromethyl)sulfonyl]-
Synonyms:
Sulfone,p-bromophenyl trifluoromethyl (6CI,7CI,8CI);1-Bromo-4-(trifluoromethanesulfonyl)benzene; 1-Bromo-4-(trifluoromethylsulfonyl)benzene;4-Bromophenyl trifluoromethyl sulfone; NSC 174223
 
Chemical Formula: C7H4BrF3O2S
Exact Mass: 287.91
Molecular Weight: 289.07
m/z: 289.90 (100.0%), 287.91 (98.2%), 288.91 (8.3%), 290.91 (7.7%), 291.90 (4.3%)
Elemental Analysis: C, 29.08; H, 1.39; Br, 27.64; F, 19.72; O, 11.07; S, 11.09
 
InChI: InChI=1S/C7H4BrF3O2S/c8-5-1-3-6(4-2-5)14(12,13)7(9,10)11/h1-4H
InChIKey: BRNFLBCPGQCBQQ-UHFFFAOYSA-N
Canonical SMILES : C1=CC(=CC=C1S(=O)(=O)C(F)(F)F)Br
 
 
Thermal Properties Value Condition Note
Melting Point 64-65 °C Solv: ethanol (64-17-5) (2)CAS
Melting Point 63 °C   (1)CAS
Melting Point 59.5-61.5 °C   (3)CAS

Specification

98%

References
  1. (1) Mongin, Olivier; Chemistry - A European Journal 2007, V13(5), P1481-1498 CAPLUS
  2. (2) Yagupol'skii, L. M.; Zhurnal Obshchei Khimii 1954, V24, P887-94 CAPLUS
  3. (3) Nodiff, Edward A.; Journal of Organic Chemistry 1960, V25, P60-5 CAPLUS
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