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CAS Number: 97511-04-1
3-bromodibenzo[b,d]thiophene

Structure

3-bromodibenzo[b,d]thiophene
Name: 3-bromodibenzo[b,d]thiophene
Synonyms:
General Information
Product Number: 97511041

CAS Registry Number 97511-04-1
Name:
Dibenzothiophene, 3-​bromo-
3-Bromodibenzothiophene

 

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

InChI Key:FDPBPKDNWCZVQR-UHFFFAOYSA-N

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

 

Thermal Properties Value Condition Note
Melting Point 203-205 °C   (2)CAS
Melting Point 185-187 °C   (2)CAS
Melting Point 118-119 °C   (2)CAS
Melting Point 98-99 °C   (3)CAS
Melting Point 97.5-98.5 °C   (4)CAS
Melting Point 93-96 °C   (3)CAS

Specification

98%

References
  1. (2) Ishihara, Tsukasa; Bioorganic & Medicinal Chemistry 2003, V11(11), P2403-2414 CAPLUS
  2. (3) Gilman, Henry; Journal of the American Chemical Society 1953, V75, P3843-5 CAPLUS
  3. (4) Illuminati, Gabriello; Journal of the American Chemical Society 1951, V73, P5887-8 CAPLUS
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