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CAS Number: 101084-39-3
3-bromo-2-methoxybenzoic acid

Structure

3-bromo-2-methoxybenzoic acid
Name: 3-bromo-2-methoxybenzoic acid
Synonyms:
General Information
Product Number: 101084393

CAS Registry Number 101084-39-3
Name:
Benzoic acid, 3-​bromo-​2-​methoxy-
o-Anisic acid, 3-bromo- (6CI)
2-Methoxy-3-bromobenzoic acid
3-Bromo-2-methoxybenzoic acid
NSC 76704

 

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

InChI Key:PIBPHOFXQUUPTM-UHFFFAOYSA-N

Canonical SMILES:COC1=C(C=CC=C1Br)C(=O)O

 

Thermal Properties Value Condition Note
Melting Point 136-137 °C   (3)CAS
Melting Point 136 °C   (4)CAS
Melting Point 134-136 °C Solv: ethanol (64-17-5) (5)CAS
Melting Point 121 °C   (6)IC
Melting Point 121 °C   (7)IC
Melting Point 119-121 °C   (1)CAS
Melting Point 119-121 °C   (2)CAS
Melting Point 119-121 °C   (8)CAS

Specification

98%

References
  1. (1) Nguyen, Thi-Huu; Organic Letters 2006, V8(4), P765-768 CAPLUS
  2. (2) Nguyen, Thi-Huu; Journal of Organic Chemistry 2007, V72(9), P3419-3429 CAPLUS
  3. (3) Nozoe, Tetsuo; Proceedings of the Japan Academy 1951, V27, P649-54 CAPLUS
  4. (4) Meldrum, A. N.; Journal of the Chemical Society, Transactions 1923, V123, P1986-93 CAPLUS
  5. (5) Hirwe, N. W.; Proceedings - Indian Academy of Sciences, Section A 1937, V5A, P321-5 CAPLUS
  6. (6) Pudleiner, Heinz; Synthesis 1989, (4), P286-7 CAPLUS
  7. (7) Laatsch, Hartmut; Liebigs Annalen der Chemie 1989, (9), P863-81 CAPLUS
  8. (8) Shrestha, Suja; Bioorganic & Medicinal Chemistry 2007, V15(20), P6535-6548 CAPLUS
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