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CAS Number: 34896-80-5
1-bromo-3-(methylsulfonyl)benzene

Structure

 1-bromo-3-(methylsulfonyl)benzene
Name: 1-bromo-3-(methylsulfonyl)benzene
Synonyms:
General Information
Product Number: 34896805

CAS Registry Number 34896-80-5
Name:
Benzene, 1-?bromo-?3-?(methylsulfonyl)?-
Sulfone, m-bromophenyl methyl (6CI)
1-Bromo-3-(methylsulfonyl)benzene
1-Bromo-3-mesylbenzene
1-Bromo-3-methanesulfonylbenzene
1-Bromo-3-methylsulfonylbenzene

 

Chemical Formula: C7H7BrO2S
Exact Mass: 233.94
Molecular Weight: 235.10
m/z: 235.93 (100.0%), 233.94 (98.2%), 234.94 (7.6%), 236.94 (7.4%), 237.93 (4.3%), 236.93 (1.1%)

 

InChI:InChI=1S/C7H7BrO2S/c1-11(9,10)7-4-2-3-6(8)5-7/h2-5H,1H3

InChI Key:WBOMXUMQOVQNKT-UHFFFAOYSA-N

Canonical SMILES:CS(=O)(=O)C1=CC(=CC=C1)Br

 

Thermal Properties Value Condition Note
Melting Point 103 °C   (2)CAS
Melting Point 99-101 °C Solv: carbon tetrachloride (56-23-5) (3)CAS

Specification

98%
References
  1. (2) Twist, R. F.; Journal of the Chemical Society, Transactions 1925, V127, P1248-52 CAPLUS
  2. (3) Nodiff, Edward A.; Journal of Organic Chemistry 1960, V25, P60-5 CAPLUS
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