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CAS Number: 99655-68-2
3-bromo-1-(phenylsulfonyl)-1H-indole

Structure

 3-bromo-1-(phenylsulfonyl)-1H-indole
Name: 3-bromo-1-(phenylsulfonyl)-1H-indole
Synonyms:
General Information
Product Number: 99655682

CAS Registry Number 99655-68-2
Name:
1H-?Indole, 3-?bromo-?1-?(phenylsulfonyl)?-
1-Benzenesulfonyl-3-bromo-1H-indole
1-Benzenesulfonyl-3-bromoindole
3-Bromo-(1-benzenesulfonyl)indole
3-Bromo-1-(phenylsulfonyl)indole

 

Chemical Formula: C14H10BrNO2S
Exact Mass: 334.96
Molecular Weight: 336.20
m/z: 336.96 (100.0%), 334.96 (98.1%), 337.96 (16.3%), 335.96 (16.0%), 338.96 (5.0%), 336.97 (1.5%), 338.97 (1.1%)

 

InChI:InChI=1S/C14H10BrNO2S/c15-13-10-16(14-9-5-4-8-12(13)14)19(17,18)11-6-2-1-3-7-11/h1-10H

InChI Key:MXPFKHHDXIJNDX-UHFFFAOYSA-N

Canonical SMILES:C1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=CC=CC=C32)Br

 

Thermal Properties Value Condition Note
Melting Point 125-126 °C   (1)CAS
Melting Point 120 °C Solv: methanol (67-56-1) (2)CAS

Specification

98%
References
  1. (1) Pathak, Rakhi; Tetrahedron 2006, V62(12), P2820-2830 CAPLUS
  2. (2) Mohanakrishnan, Arasambattu K.; Tetrahedron 2006, V62(14), P3242-3247 CAPLUS
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