4-Hydroxy-2-(trifluoromethyl)benzoic acid supplier

Name
4-HYDROXY-2-(TRIFLUOROMETHYL)BENZOIC ACID
EINECS
CAS No. 320-32-1
Density 1.539 g/cm³
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
Appearance
Safety 26
Risk Codes 36-51
Molecular Structure
Hazard Symbols Xi
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;
PSA 57.53000
LogP 2.10920

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

Product Name

4-HYDROXY-2-(TRIFLUOROMETHYL)BENZOIC ACID

4-Hydroxy-2-(trifluoromethyl)benzoic acid Specification

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