2-Methyl-5-(trifluoromethyl)benzoic acid supplier

Name
2-METHYL-5-(TRIFLUOROMETHYL)BENZOIC ACID
EINECS
CAS No. 13055-63-5
Article Data6
CAS DataBase
Density 1.345g/cm³
Solubility
Melting Point 123-125 °C
Formula C₉H₇F₃O₂
Boiling Point 261.03 °C at 760 mmHg
Molecular Weight 204.149
Flash Point 111.667 °C
Transport Information
Appearance white to light yellow crystal powder
Safety 26-37
Risk Codes Xi:Irritant;
Molecular Structure
Hazard Symbols Xi
Synonyms 2-Methyl-5-trifluoromethylbenzoicacid;
PSA 37.30000
LogP 2.71200

2-Methyl-5-(trifluoromethyl)benzoic acid Specification

The Benzoic acid,2-methyl-5-(trifluoromethyl)-, with CAS registry number 13055-63-5, belongs to the following product category: Benzoic acid. It has the systematic name of 2-methyl-5-(trifluoromethyl)benzoic acid. This chemical is a kind of white to light yellow crystal powder. And the chemical formula of this chemical is C₉H₇F₃O₂.

Physical properties of Benzoic acid,2-methyl-5-(trifluoromethyl)-: (1)ACD/LogP: 3.41; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.37; (4)ACD/LogD (pH 7.4): 0.32; (5)ACD/BCF (pH 5.5): 2.11; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 15.66; (8)ACD/KOC (pH 7.4): 1.39; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.478; (14)Molar Refractivity: 42.98 cm³; (15)Molar Volume: 151.7 cm³; (16)Polarizability: 17.04×10^-24cm³; (17)Surface Tension: 33.1 dyne/cm; (18)Density: 1.345 g/cm³; (19)Flash Point: 111.7 °C; (20)Enthalpy of Vaporization: 52.69 kJ/mol; (21)Boiling Point: 261 °C at 760 mmHg; (22)Vapour Pressure: 0.006 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1cc(ccc1C)C(F)(F)F
(2)InChI: InChI=1/C9H7F3O2/c1-5-2-3-6(9(10,11)12)4-7(5)8(13)14/h2-4H,1H3,(H,13,14)
(3)InChIKey: STJUSBSLJXOSDU-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C9H7F3O2/c1-5-2-3-6(9(10,11)12)4-7(5)8(13)14/h2-4H,1H3,(H,13,14)
(5)Std. InChIKey: STJUSBSLJXOSDU-UHFFFAOYSA-N

Product Name

2-METHYL-5-(TRIFLUOROMETHYL)BENZOIC ACID

2-Methyl-5-(trifluoromethyl)benzoic acid Specification

Related Products

Hot Products