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CAS Number: 6280-89-3
2-chloro-5-methoxybenzoic acid

Structure

2-chloro-5-methoxybenzoic acid
Name: 2-chloro-5-methoxybenzoic acid
Synonyms:
General Information
Product Number: 6280893

CAS Registry Number 6280-89-3
Name:
Benzoic acid, 2-​chloro-​5-​methoxy-
m-Anisic acid, 6-chloro- (6CI,7CI,8CI)
2-Chloro-5-methoxybenzoic acid
6-Chloro-m-anisic acid
NSC 6159

 

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%)

 

InChI:InChI=1S/C8H7ClO3/c1-12-5-2-3-7(9)6(4-5)8(10)11/h2-4H,1H3,(H,10,11)

InChI Key:AQHFCRYZABKUEV-UHFFFAOYSA-N

Canonical SMILES:COC1=CC(=C(C=C1)Cl)C(=O)O

 

Thermal Properties Value Condition Note
Melting Point 178-181 °C   (3)CAS
Melting Point 172.5-173 °C   (4)CAS
Melting Point 172-173 °C   (5)CAS
Melting Point 168-169.5 °C Solv: cyclohexane (110-82-7); ethyl acetate (141-78-6) (2)CAS
Melting Point 168-169.5 °C Solv: ethyl acetate (141-78-6); cyclohexane (110-82-7) (1)CAS

Specification

98%

References
  1. (1) Nguyen, Thi-Huu; Journal of Organic Chemistry 2007, V72(9), P3419-3429 CAPLUS
  2. (2) Nguyen, Thi-Huu; Organic Letters 2005, V7(12), P2445-2448 CAPLUS
  3. (3) Gunosewoyo, Hendra; Bioorganic & Medicinal Chemistry Letters 2008, V18(13), P3720-3723 CAPLUS
  4. (4) Rauhut, M. M.; Journal of Organic Chemistry 1956, V21, P939-43 CAPLUS
  5. (5) Huang, Yao-Tseng; Huaxue Xuebao 1958, V24, P311-22 CAPLUS
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