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CAS Number: 10243-15-9
3-bromo-2-methylbenzo[b]thiophene

Structure

 3-bromo-2-methylbenzo[b]thiophene
Name: 3-bromo-2-methylbenzo[b]thiophene
Synonyms:
General Information
Product Number: 10243159

CAS Registry Number 10243-15-9
Name:
Benzo[b]?thiophene, 3-?bromo-?2-?methyl-
2-Methyl-3-bromobenzothiophene
3-Bromo-2-methylbenzo[b]thiophene
3-Bromo-2-methylbenzothiophene

 

Chemical Formula: C9H7BrS
Exact Mass: 225.95
Molecular Weight: 227.12
m/z: 227.94 (100.0%), 225.95 (98.2%), 226.95 (9.6%), 228.95 (9.4%), 229.94 (4.3%), 228.94 (1.2%)

 

InChI:InChI=1S/C9H7BrS/c1-6-9(10)7-4-2-3-5-8(7)11-6/h2-5H,1H3

InChI Key:WFTBGTKQMKDPOQ-UHFFFAOYSA-N

Canonical SMILES:CC1=C(C2=CC=CC=C2S1)Br

 

Thermal Properties Value Condition Note
Boiling Point 103-104 °C Press: 1.5 Torr (1)IC
Melting Point 43-45 °C Solv: hexane (110-54-3) (3)CAS
Melting Point 42-42.5 °C   (5)CAS
Melting Point 39-40 °C   (6)IC
Melting Point 38-42 °C   (1)IC
Melting Point 30 °C   (7)CAS

Specification

98%
References
  1. (1) Cherry, Winston H.; Australian Journal of Chemistry 1979, V32(1), P133-43 CAPLUS
  2. (3) Mosquera, Angeles; Chemistry - A European Journal 2014, V20(44), P14524-14530 CAPLUS
  3. (5) Shirley, David A.; Journal of the American Chemical Society 1953, V75, P3278-80 CAPLUS
  4. (6) JP 62045586 A 1987 CAPLUS
  5. (7) Hawthorne, D. G.; Australian Journal of Chemistry 1966, V19(10), P1909-25 CAPLUS
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