CAS No.157337-81-0,2,4-Difluoro-3-(trifluoromethyl)benzoic acid Suppliers

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Basic Information

Molecular Structure:
CAS No.:	157337-81-0
Name:	2,4-Difluoro-3-(trifluoromethyl)benzoic acid
Article Data:	2

Formula:	C₈H₃F₅O₂
Molecular Weight:	226.10
Synonyms:	2,4-Difluoro-3-(trifluoromethyl)benzoic acid;
Density:	1.571 g/cm³
Boiling Point:	252.49 °C at 760 mmHg
Flash Point:	106.502 °C

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Specification

The 2,4-Difluoro-3-(trifluoromethyl)benzoic acid is an organic compound with the formula C₈H₃F₅O₂. The systematic name of this chemical is 2,4-difluoro-3-(trifluoromethyl)benzoic acid. With the CAS registry number 157337-81-0, it is also named as benzoic acid, 2,4-difluoro-3-(trifluoromethyl)-.

Physical properties about 2,4-Difluoro-3-(trifluoromethyl)benzoic acid are: (1)ACD/LogP: 3.21; (2)ACD/LogD (pH 5.5): 1; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 3; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 2; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 37.3 Å²; (11)Index of Refraction: 1.443; (12)Molar Refractivity: 38.15 cm³; (13)Molar Volume: 143.893 cm³; (14)Polarizability: 15.124×10^-24cm³; (15)Surface Tension: 31.487 dyne/cm; (16)Density: 1.571 g/cm³; (17)Flash Point: 106.502 °C; (18)Enthalpy of Vaporization: 51.757 kJ/mol; (19)Boiling Point: 252.49 °C at 760 mmHg; (20)Vapour Pressure: 0.01 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)c1c(F)ccc(C(=O)O)c1F
(2)InChI: InChI=1/C8H3F5O2/c9-4-2-1-3(7(14)15)6(10)5(4)8(11,12)13/h1-2H,(H,14,15)
(3)InChIKey: RHOJXSFJDSOLSS-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C8H3F5O2/c9-4-2-1-3(7(14)15)6(10)5(4)8(11,12)13/h1-2H,(H,14,15)
(5)Std. InChIKey: RHOJXSFJDSOLSS-UHFFFAOYSA-N