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| CAS No.: | 84392-17-6 |
|---|---|
| Name: | 4-(Trifluoromethyl)-2'-biphenylcarboxylic acid |
| Article Data: | 23 |
| Molecular Structure: | |
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| Formula: | C14H9F3O2 |
| Molecular Weight: | 266.219 |
| Synonyms: | 2-(4-Trifluoromethylphenyl)benzoicacid;4'-(Trifluoromethyl)-2-biphenylcarboxylic acid;4'-(Trifluoromethyl)[1,1'-biphenyl]-2-carboxylicacid;BW 207U;Xenalipin; |
| Density: | 1.326 g/cm3 |
| Melting Point: | 169-171 °C(lit.) |
| Boiling Point: | 335.8 °C at 760 mmHg |
| Flash Point: | 156.9 °C |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 26-36/37/39 |
| PSA: | 37.30000 |
| LogP: | 4.07060 |
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Specification
The cas register number of 4-(Trifluoromethyl)-2'-biphenylcarboxylic acid is 84392-17-6. It also can be called as 4'-(Trifluoromethyl)[1,1'-biphenyl]-2-carboxylic acid and the IUPAC Name about this chemical is 2-[4-(trifluoromethyl)phenyl]benzoic acid. It belongs to the following product categories, such as C13 to C42+, Carbonyl Compounds, Carboxylic Acids and so on.
Physical properties about 4-(Trifluoromethyl)-2'-biphenylcarboxylic acid are: (1)ACD/LogP: 3.97; (2)ACD/LogD (pH 5.5): 2.18; (3)ACD/LogD (pH 7.4): 0.92; (4)ACD/BCF (pH 5.5): 9.85; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 55.44; (7)ACD/KOC (pH 7.4): 3.1; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 26.3Å2; (12)Index of Refraction: 1.537; (13)Molar Refractivity: 62.75 cm3; (14)Molar Volume: 200.7 cm3; (15)Polarizability: 24.87x10-24cm3; (16)Surface Tension: 38.4 dyne/cm; (17)Enthalpy of Vaporization: 61.1 kJ/mol; (18)Vapour Pressure: 4.59E-05 mmHg at 25°C.
Preparation: this chemical can be prepared by 4'-trifluoromethyl-biphenyl-2-carbaldehyde. This reaction will need reagent KMnO4 and solvent acetone, H2O. The reaction time is 2 hour(s) with reaction temperature of 50 ℃. The yield is about 73%.
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)Canonical SMILES: C1=CC=C(C(=C1)C2=CC=C(C=C2)C(F)(F)F)C(=O)O
(2)InChI: InChI=1S/C14H9F3O2/c15-14(16,17)10-7-5-9(6-8-10)11-3-1-2-4-12(11)13(18)19/h1-8H,(H,18,19)
(3)InChIKey: IQOMYCGTGFGDFN-UHFFFAOYSA-N