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CAS No.: | 142994-09-0 |
---|---|
Name: | 4-Chloro-2-(trifluoromethyl)benzoic acid |
Article Data: | 3 |
Molecular Structure: | |
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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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 C8H4ClF3O2 and 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