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CAS Number: 2476-35-9
5-bromo-2-methoxybenzoic acid

Structure

5-bromo-2-methoxybenzoic acid
Name: 5-bromo-2-methoxybenzoic acid
Synonyms:
General Information
Product Number: 2476359

CAS Registry Number 2476-35-9
Name:
Benzoic acid, 5-?bromo-?2-?methoxy-
o-Anisic acid, 5-bromo- (6CI,7CI,8CI)
2-Methoxy-5-bromobenzoic acid
5-Bromo-2-methoxybenzoic acid
5-Bromo-o-anisic acid

 

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

InChI Key:JFDUXZIRWBYBAQ-UHFFFAOYSA-N

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

 

Thermal Properties Value Condition Note
Melting Point 121-122 °C   (3)IC
Melting Point 121 °C   (4)CAS
Melting Point 119-120 °C   (5)CAS
Melting Point 119 °C   (6)CAS
Melting Point 119 °C   (7)CAS
Melting Point 119 °C   (8)CAS
Melting Point 118-119 °C Solv: ethanol (64-17-5) (9)CAS

Specification

98%

References
  1. (3) Zhang, Zhen; Nanjing Daxue Xuebao, Ziran Kexue 1991, V27(1), P191-4 CAPLUS
  2. (4) Meldrum, A. N.; Journal of the Chemical Society, Transactions 1923, V123, P1982-6 CAPLUS
  3. (5) Paty, Marcel; Compt. rend. 1943, V217, P229-31 CAPLUS
  4. (6) Barnes, Roderick A.; Journal of the American Chemical Society 1949, V71, P3523-8 CAPLUS
  5. (7) Sunthankar, S. V.; Journal of Organic Chemistry 1951, V16, P8-16 CAPLUS
  6. (8) Baddar, F. G.; Journal of the Chemical Society 1955, P2199-2205 CAPLUS
  7. (9) Hirwe, N. W.; Proceedings - Indian Academy of Sciences, Section A 1937, V5A, P321-5 CAPLUS
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