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CAS Number: 56609-15-5
1-(3-bromo-2-hydroxy-5-methylphenyl)ethanone

Structure

1-(3-bromo-2-hydroxy-5-methylphenyl)ethanone
Name: 1-(3-bromo-2-hydroxy-5-methylphenyl)ethanone
Synonyms:
General Information
Product Number: 56609155

CAS Registry Number 56609-15-5
Name:
Ethanone, 1-​(3-​bromo-​2-​hydroxy-​5-​methylphenyl)​-
Acetophenone, 3'-bromo-2'-hydroxy-5'-methyl- (5CI)
1-(3-Bromo-2-hydroxy-5-methylphenyl)-1-ethanone
2-Acetyl-6-bromo-4-methylphenol
2-Hydroxy-3-bromo-5-methylacetophenone
3-Bromo-2-hydroxy-5-methylacetophenone

 

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/c1-5-3-7(6(2)11)9(12)8(10)4-5/h3-4,12H,1-2H3

InChI Key:ARARNHPPXNXRPT-UHFFFAOYSA-N

Canonical SMILES:CC1=CC(=C(C(=C1)C(=O)C)O)Br

 

Thermal Properties Value Condition Note
Melting Point 89 °C Solv: methanol (67-56-1) (2)CAS
Melting Point 88-89 °C   (3)IC
Melting Point 88-89 °C Solv: ethanol (64-17-5) (4)IC
Melting Point 88 °C   (5)CAS
Melting Point 86-88 °C   (6)CAS
Melting Point 86-87 °C   (7)CAS

Specification

98%

References
  1. (2) Buu-Hoi, Ng. Ph.; Journal of the Chemical Society 1955, P18-20 CAPLUS
  2. (3) Dijkstra, P. J.; Tetrahedron Letters 1986, V27(27), P3183-6 CAPLUS
  3. (4) Dijkstra, Pieter J.; Journal of Organic Chemistry 1987, V52(12), P2433-42 CAPLUS
  4. (5) Marathey, M.G.; Journal of the University of Poona, Science and Technology 1954, (No. 6), P77-82 CAPLUS
  5. (6) Pui, Aurel; Polyhedron 2007, V26(13), P3143-3152 CAPLUS
  6. (7) Abbott, Belinda; Australian Journal of Chemistry 2003, V56(11), P1099-1106 CAPLUS
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