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CAS Number: 82477-67-6
3-chloro-5-methoxybenzoic acid

Structure

3-chloro-5-methoxybenzoic acid
Name: 3-chloro-5-methoxybenzoic acid
Synonyms:
General Information
Product Number: 82477676
CAS Registry Number: 82477-67-6
Name:
        Benzoic acid, 3-​chloro-​5-​methoxy-
        3-​Chloro-​5-​methoxybenzoic acid 
 
Chemical Formula: C8H7ClO3
Exact Mass: 186.01
Molecular Weight: 186.59
m/z: 186.01 (100.0%), 188.01 (32.6%), 187.01 (8.8%), 189.01 (2.8%)
Elemental Analysis: C, 51.49; H, 3.78; Cl, 19.00; O, 25.72
 
InChI: InChI=1S/C8H7ClO3/c1-12-7-3-5(8(10)11)2-6(9)4-7/h2-4H,1H3,(H,10,11)
InChIKey: RRVHCVOVXPMKGF-UHFFFAOYSA-N
Canonical SMILES : COC1=CC(=CC(=C1)C(=O)O)Cl
 
Thermal Properties Value Condition Note
Melting Point 178-179 °C Solv: ethanol (64-17-5) (1)IC
 

Specification

98%

References
  1. (1) Sargent, Melvyn V.; Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999) 1982, (4), P1095-8 CAPLUS
  2. (2) El-Gamal, Mohammed I.; Archiv der Pharmazie (Weinheim, Germany) 2011, V344(3), P197-204 CAPLUS
  3. (3) Choi, Won-Kyoung; Bulletin of the Korean Chemical Society 2009, V30(9), P2027-2031 CAPLUS
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