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CAS Number: 328-90-5
2-hydroxy-4-(trifluoromethyl)benzoic acid

Structure

2-hydroxy-4-(trifluoromethyl)benzoic acid
Name: 2-hydroxy-4-(trifluoromethyl)benzoic acid
Synonyms:
General Information
Product Number: 328905

CAS Registry Number 328-90-5
Name:
Benzoic acid, 2-​hydroxy-​4-​(trifluoromethyl)​-
2,4-Cresotic acid, α,α,α-trifluoro- (6CI,7CI,8CI)
2-Hydroxy-4-(trifluoromethyl)benzoic acid
4-(Trifluoromethyl)salicylic acid
4-Trifluoromethyl-2-hydroxybenzoic acid
p-(Trifluoromethyl)salicylic acid

 

Chemical Formula: C8H5F3O3
Exact Mass: 206.02
Molecular Weight: 206.12
m/z: 206.02 (100.0%), 207.02 (8.8%)

 

InChI:InChI=1S/C8H5F3O3/c9-8(10,11)4-1-2-5(7(13)14)6(12)3-4/h1-3,12H,(H,13,14)

InChI Key:XMLFPUBZFSJWCN-UHFFFAOYSA-N

Canonical SMILES:C1=CC(=C(C=C1C(F)(F)F)O)C(=O)O

 

Thermal Properties Value Condition Note
Melting Point 178-178.5 °C   (3)CAS
Melting Point 178-178.5 °C Solv: ethanol (64-17-5); water (7732-18-5) (4)CAS
Melting Point 178 °C   (4)CAS
Melting Point 177.5-178.5 °C   (5)CAS
Melting Point 177.5-178.5 °C   (4)CAS
Melting Point 177-178 °C   (4)CAS

Specification

98%

References
  1. (3) Hauptschein, Murray; US 3052603 1962 CAPLUS
  2. (4) Hauptschein, Murray; Journal of the American Chemical Society 1954, V76, P1051-4 CAPLUS
  3. (5) Hauptschein, Murray; Journal of the American Chemical Society 1955, V77, P2284-7 CAPLUS
  4. (6) Shein, S. M.; Zhurnal Obshchei Khimii 1964, V34(10), P3385-9 CAPLUS
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