CAS No.23228-45-7,2-Chloro-4-trifluoromethylbenzoic acid Suppliers

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Basic Information

Molecular Structure:
CAS No.:	23228-45-7
Name:	2-Chloro-4-trifluoromethylbenzoic acid
Article Data:	3

Formula:	C₈H₄ClF₃O₂
Molecular Weight:	224.567
Synonyms:	p-Toluicacid, 2-chloro-a,a,a-trifluoro- (8CI);2-Chloro-4-trifluoromethylbenzoicacid;2-Chloro-4-(trifluoromethyl)benzoic acid;
Density:	1.523 g/cm³
Melting Point:	114-117℃
Boiling Point:	255.045 °C at 760 mmHg
Flash Point:	108.048 °C
PSA:	37.30000
LogP:	3.05700

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Specification

The 2-Chloro-4-trifluoromethylbenzoic acid, with the CAS registry number 23228-45-7, is also called Benzoic acid, 2-chloro-4-(trifluoromethyl)-. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C₈H₄ClF₃O₂.

The characteristics of 2-Chloro-4-trifluoromethylbenzoic acid are as followings: (1)ACD/LogP: 3.26; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 0; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 2; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 37.3 Å²; (13)Index of Refraction: 1.496; (14)Molar Refractivity: 43.058 cm³; (15)Molar Volume: 147.424 cm³; (16)Polarizability: 17.069×10^-24cm³; (17)Surface Tension: 36.547 dyne/cm; (18)Density: 1.523 g/cm³; (19)Flash Point: 108.048 °C; (20)Enthalpy of Vaporization: 52.036 kJ/mol; (21)Boiling Point: 255.045 °C at 760 mmHg; (22)Vapour Pressure: 0.009 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(O)c1ccc(cc1Cl)C(F)(F)F
(2)InChI: InChI=1/C8H4ClF3O2/c9-6-3-4(8(10,11)12)1-2-5(6)7(13)14/h1-3H,(H,13,14)
(3)InChIKey: DTIJZEUKFYGSEC-UHFFFAOYAI