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CAS Number: 22439-61-8
2-bromodibenzo[b,d]thiophene

Structure

 2-bromodibenzo[b,d]thiophene
Name: 2-bromodibenzo[b,d]thiophene
Synonyms:
General Information
Product Number: 22439618

CAS Registry Number 22439-61-8
Name:
Dibenzothiophene, 2-?bromo-
2-Bromodibenzothiophene
NSC 172586

 

Chemical Formula: C12H7BrS
Exact Mass: 261.95
Molecular Weight: 263.15
m/z: 263.94 (100.0%), 261.95 (98.2%), 262.95 (12.8%), 264.95 (12.5%), 265.94 (4.3%), 264.94 (1.3%)

 

InChI:InChI=1S/C12H7BrS/c13-8-5-6-12-10(7-8)9-3-1-2-4-11(9)14-12/h1-7H

InChI Key:IJICRIUYZZESMW-UHFFFAOYSA-N

Canonical SMILES:C1=CC=C2C(=C1)C3=C(S2)C=CC(=C3)Br

 

Thermal Properties Value Condition Note
Melting Point 250-252 °C   (2)CAS
Melting Point 235-236 °C   (2)CAS
Melting Point 127 °C Solv: methanol (67-56-1) (3)IC

Specification

98%
References
  1. (2) Ishihara, Tsukasa; Bioorganic & Medicinal Chemistry 2003, V11(11), P2403-2414 CAPLUS
  2. (3) Meier, Herbert; Chemische Berichte 1984, V117(1), P107-26 CAPLUS
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