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| Name |
4-Hydroxy-2-(trifluoromethyl)benzoic acid |
EINECS | N/A |
| CAS No. | 320-32-1 | Density | 1.539 g/cm3 |
| PSA | 57.53000 | LogP | 2.10920 |
| Solubility | Slightly soluble in water. | Melting Point |
159-161°C |
| Formula | C8H5F3O3 | Boiling Point | 322.6 °C at 760 mmHg |
| Molecular Weight | 206.121 | Flash Point | 148.9 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | 26 | Risk Codes | 36-51 |
| Molecular Structure |
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Hazard Symbols |
 Xi
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| Synonyms |
4,2-Cresoticacid, a,a,a-trifluoro- (7CI,8CI);4-Hydroxy-2-trifluoromethylbenzoic acid;Benzoic acid, 4-hydroxy-2-(trifluoromethyl)-;α,α,α-Trifluoro-4-hydroxy-o-toluic acid; |
4-Hydroxy-2-(trifluoromethyl)benzoic acid Specification
The Benzoic acid,4-hydroxy-2-(trifluoromethyl)-, with the CAS registry number 320-32-1, has the systematic name of 4-hydroxy-2-(trifluoromethyl)benzoic acid. It belongs to the following product categories: Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts. And the molecular formula of the chemical is C8H5F3O3.
The characteristics of Benzoic acid,4-hydroxy-2-(trifluoromethyl)- are as followings: (1)ACD/LogP: 3.29; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.29; (4)ACD/LogD (pH 7.4): 0.14; (5)ACD/BCF (pH 5.5): 1.86; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 14.68; (8)ACD/KOC (pH 7.4): 1.04; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 35.53 Å2; (13)Index of Refraction: 1.509; (14)Molar Refractivity: 40.04 cm3; (15)Molar Volume: 133.9 cm3; (16)Polarizability: 15.87×10-24cm3; (17)Surface Tension: 42.3 dyne/cm; (18)Density: 1.539 g/cm3; (19)Flash Point: 148.9 °C; (20)Enthalpy of Vaporization: 59.59 kJ/mol; (21)Boiling Point: 322.6 °C at 760 mmHg; (22)Vapour Pressure: 0.000114 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(O)c1c(cc(O)cc1)C(F)(F)F
(2)InChI: InChI=1/C8H5F3O3/c9-8(10,11)6-3-4(12)1-2-5(6)7(13)14/h1-3,12H,(H,13,14)
(3)InChIKey: CSQAVQLFCBRQJM-UHFFFAOYAX
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