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CAS Number: 2973-59-3
2-bromo-5-hydroxy-4-methoxybenzaldehyde

Structure

 2-bromo-5-hydroxy-4-methoxybenzaldehyde
Name: 2-bromo-5-hydroxy-4-methoxybenzaldehyde
Synonyms:
General Information
Product Number: 2973593

CAS Registry Number 2973-59-3
Name:
Benzaldehyde, 2-?bromo-?5-?hydroxy-?4-?methoxy-
Isovanillin, 6-bromo- (6CI)
p-Anisaldehyde, 2-bromo-5-hydroxy- (7CI,8CI)
2-Bromo-5-hydroxy-4-methoxybenzaldehyde
2-Bromo-5-hydroxy-p-anisaldehyde
6-Bromoisovanillin

 

Chemical Formula: C8H7BrO3
Exact Mass: 229.96
Molecular Weight: 231.04
m/z: 229.96 (100.0%), 231.96 (98.2%), 230.96 (8.8%), 232.96 (8.6%)

 

InChI:InChI=1S/C8H7BrO3/c1-12-8-3-6(9)5(4-10)2-7(8)11/h2-4,11H,1H3

InChI Key:AHYSXUDLJOFNAB-UHFFFAOYSA-N

Canonical SMILES:COC1=C(C=C(C(=C1)Br)C=O)O

 

Thermal Properties Value Condition Note
Melting Point 115 °C   (4)CAS
Melting Point 111-112 °C Solv: ethanol (64-17-5) (5)IC
Melting Point 105-108 °C   (2)IC
Melting Point 104-108 °C   (3)IC
Melting Point 104-108 °C Solv: benzene (71-43-2) (6)IC
Melting Point 104-106 °C Solv: water (7732-18-5) (1)CAS

Specification

98%
References
  1. (1) Chandrasekhar, S.; Tetrahedron 2006, V62(51), P12098-12107 CAPLUS
  2. (2) Bulavka, V. N.; Khimiko-Farmatsevticheskii Zhurnal 1990, V24(5), P59-60 CAPLUS
  3. (3) Imakura, Yasuhiro; Heterocycles 1990, V31(6), P1067-76 CAPLUS
  4. (4) Profft, E.; Archiv der Pharmazie und Berichte der Deutschen Pharmazeutischen Gesellschaft 1965, V298(3), P148-62 CAPLUS
  5. (5) Saraf, S. D.; Synthetic Communications 1983, V13(1), P7-14 CAPLUS
  6. (6) Kobayashi, Shigeru; Chemical & Pharmaceutical Bulletin 1978, V26(10), P3113-16 CAPLUS
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