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CAS Number: 394-42-3
2-fluoro-4-methoxybenzoic acid

Structure

2-fluoro-4-methoxybenzoic acid
Name: 2-fluoro-4-methoxybenzoic acid
Synonyms:
General Information
Product Number: 394423

CAS Registry Number 394-42-3
Name:
Benzoic acid, 2-​fluoro-​4-​methoxy-
2-Fluoro-4-methoxybenzoic acid

 

Chemical Formula: C8H7FO3
Exact Mass: 170.04
Molecular Weight: 170.14
m/z: 170.04 (100.0%), 171.04 (8.8%)

 

InChI:InChI=1S/C8H7FO3/c1-12-5-2-3-6(8(10)11)7(9)4-5/h2-4H,1H3,(H,10,11)

InChI Key:UPWMPIKNUXTWFP-UHFFFAOYSA-N

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

 

Thermal Properties Value Condition Note
Melting Point 192-193.5 °C   (1)CAS
Melting Point 192 °C   (2)CAS
Melting Point 190-191 °C Solv: ethanol (64-17-5); water (7732-18-5) (3)IC

Specification

98%

References
  1. (1) Bennett, Edward L.; Journal of the American Chemical Society 1950, V72, P1806-7 CAPLUS
  2. (2) Hodgson, Herbert H.; Journal of the Chemical Society 1929, P1632-9 CAPLUS
  3. (3) Hartmann, Rolf W.; Archiv der Pharmazie (Weinheim, Germany) 1990, V323(2), P73-8 CAPLUS
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