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CAS Number: 5000-65-7
2-bromo-1-(3-methoxyphenyl)ethanone

Structure

2-bromo-1-(3-methoxyphenyl)ethanone
Name: 2-bromo-1-(3-methoxyphenyl)ethanone
Synonyms:
General Information
Product Number: 5000657

CAS Registry Number 5000-65-7
Name:
Ethanone, 2-​bromo-​1-​(3-​methoxyphenyl)​-
Acetophenone, 2-bromo-3'-methoxy- (6CI,7CI,8CI)
2-Bromo-1-(3-methoxyphenyl)ethanone
2-Bromo-1-(3-methoxyphenyl-1-yl)ethanone
2-Bromo-1-[3-(methyloxy)phenyl]ethanone
2-Bromo-3'-methoxyacetophenone

 

Chemical Formula: C9H9BrO2
Exact Mass: 227.98
Molecular Weight: 229.07
m/z: 227.98 (100.0%), 229.98 (97.7%), 228.98 (9.9%), 230.98 (9.6%)

 

InChI:InChI=1S/C9H9BrO2/c1-12-8-4-2-3-7(5-8)9(11)6-10/h2-5H,6H2,1H3

InChI Key:IOOHBIFQNQQUFI-UHFFFAOYSA-N

Canonical SMILES:COC1=CC=CC(=C1)C(=O)CBr

 

Thermal Properties Value Condition Note
Melting Point 63.0-64.3 °C   (6)CAS
Melting Point 62-63 °C Solv: isopropyl ether (108-20-3); heptane (142-82-5)(1:9) (7)CAS
Melting Point 61-62 °C Solv: ethanol (64-17-5) (2)CAS
Melting Point 59-61 °C   (8)IC
Melting Point 58-60 °C   (9)IC

Specification

98%

References
  1. (2) Pravst, Igor; Tetrahedron 2008, V64(22), P5191-5199 CAPLUS
  2. (6) Corrigan, John R.; Journal of the American Chemical Society 1953, V75, P6258-60 CAPLUS
  3. (7) Fuchs, Richard; Journal of the American Chemical Society 1956, V78, P5612-13 CAPLUS
  4. (8) Holshouser, M. H.; Journal of Pharmaceutical Sciences 1986, V75(6), P619-21 CAPLUS
  5. (9) Kajigaeshi, Shoji; Bulletin of the Chemical Society of Japan 1987, V60(3), P1159-60 CAPLUS
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