Benzoic acid, 2-hydroxy-5-(trifluoromethyl)- supplier

Name
2-Hydroxy-5-Trifluoromethyl Benzoic Acid
EINECS
CAS No. 79427-88-6
Article Data10
CAS DataBase
Density 1.539 g/cm³
Solubility
Melting Point
Formula C₈H₅F₃O₃
Boiling Point 292.761 °C at 760 mmHg
Molecular Weight 206.121
Flash Point 130.857 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Hydroxy-5-trifluoromethylbenzoic acid;
PSA 57.53000
LogP 2.10920

Benzoic acid, 2-hydroxy-5-(trifluoromethyl)- Specification

The Benzoic acid, 2-hydroxy-5-(trifluoromethyl)-, with the CAS registry number 79427-88-6, is also known as 2-Hydroxy-5-trifluoromethylbenzoic acid. This chemical's molecular formula is C₈H₅F₃O₃ and molecular weight is 206.1187. What's more, its systematic name is called 2-Hydroxy-5-(trifluoromethyl)benzoic acid.

Physical properties about Benzoic acid, 2-hydroxy-5-(trifluoromethyl)- are: (1)ACD/LogP: 3.09; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 3; (8)ACD/KOC (pH 7.4): 2; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 57.53 Å²; (13)Index of Refraction: 1.51; (14)Molar Refractivity: 40.044 cm³; (15)Molar Volume: 133.903 cm³; (16)Polarizability: 15.875×10^-24 cm³; (17)Surface Tension: 42.366 dyne/cm; (18)Density: 1.539 g/cm³; (19)Flash Point: 130.857 °C; (20)Enthalpy of Vaporization: 56.214 kJ/mol; (21)Boiling Point: 292.761 °C at 760 mmHg; (22)Vapour Pressure: 0.001 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)c1cc(ccc1O)C(F)(F)F
(2) InChI: InChI=1/C8H5F3O3/c9-8(10,11)4-1-2-6(12)5(3-4)7(13)14/h1-3,12H,(H,13,14)
(3) InChIKey: YQDOJQUHDQGQPH-UHFFFAOYAX

Product Name

2-Hydroxy-5-Trifluoromethyl Benzoic Acid

Benzoic acid, 2-hydroxy-5-(trifluoromethyl)- Specification

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