Name: 4-Chloro-2-(trifluoromethyl)benzoic acid
SKU: 142994-09-0

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Basic Information

Molecular Structure:
CAS No.:	142994-09-0
Name:	4-Chloro-2-(trifluoromethyl)benzoic acid
Article Data:	3

Formula:	C₈H₄ClF₃O₂
Molecular Weight:	224.567
Synonyms:	4-Chloro-2-(trifluoromethyl)benzoicacid;4-Chloro-α,α,α-trifluoro-o-anisic acid;
Density:	1.523 g/cm³
Melting Point:	108.0 to 112.0 °C
Boiling Point:	264.657 °C at 760 mmHg
Flash Point:	113.861 °C
Appearance:	white crystal powder
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36/37/39
Transport Information:	UN 3265
PSA:	37.30000
LogP:	3.05700

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Specification

The CAS register number of 4-Chloro-2-(trifluoromethyl)benzoic acid is 142994-09-0. It also can be called as Benzoic acid,4-chloro-2-(trifluoromethyl)- and the IUPAC name about this chemical is 4-chloro-2-(trifluoromethyl)benzoic acid. The molecular formula about this chemical is C₈H₄ClF₃O₂and molecular weight is 224.56.

Physical properties about 4-Chloro-2-(trifluoromethyl)benzoic acid are: (1)ACD/LogP: 3.82; (2)ACD/LogD (pH 5.5): 1.41; (3)ACD/LogD (pH 7.4): 0.69; (4)ACD/BCF (pH 5.5): 1.82; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 11.02; (7)ACD/KOC (pH 7.4): 2.12; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 26.3Å²; (12)Index of Refraction: 1.495; (13)Molar Refractivity: 43.05 cm³; (14)Molar Volume: 147.4 cm³; (15)Polarizability: 17.06x10^-24cm³; (16)Surface Tension: 36.5 dyne/cm; (17)Enthalpy of Vaporization: 53.09 kJ/mol; (18)Boiling Point: 264.7 °C at 760 mmHg; (19)Vapour Pressure: 0.00481 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1c(cc(Cl)cc1)C(F)(F)F
(2)InChI: InChI=1/C8H4ClF3O2/c9-4-1-2-5(7(13)14)6(3-4)8(10,11)12/h1-3H,(H,13,14)
(3)InChIKey: RKZXXMAQKMOZLK-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C8H4ClF3O2/c9-4-1-2-5(7(13)14)6(3-4)8(10,11)12/h1-3H,(H,13,14)
(5)Std. InChIKey: RKZXXMAQKMOZLK-UHFFFAOYSA-N