[1,1'-Biphenyl]-4-carboxylicacid, 3'-(trifluoromethyl)- supplier

Name
3'-TRIFLUOROMETHYLBIPHENYL-4-CARBOXYLIC ACID
EINECS
CAS No. 195457-70-6
Article Data4
CAS DataBase
Density 1.326 g/cm³
Solubility
Melting Point
Formula C₁₄H₉F₃O₂
Boiling Point 375.7 °C at 760 mmHg
Molecular Weight 266.219
Flash Point 181 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms 3'-(Trifluoromethyl)biphenyl-4-carboxylicacid;
PSA 37.30000
LogP 4.07060

[1,1'-Biphenyl]-4-carboxylicacid, 3'-(trifluoromethyl)- Specification

The [1,1'-Biphenyl]-4-carboxylicacid, 3'-(trifluoromethyl)-, with the CAS registry number 195457-70-6, is also known as 3'-Trifluoromethylbiphenyl-4-carboxylic acid. It belongs to the product category of Pharmacetical. This chemical's molecular formula is C₁₄H₉F₃O₂ and molecular weight is 266.21527. Its IUPAC name is called 4-[3-(trifluoromethyl)phenyl]benzoic acid. When you are using this chemical, please be cautious about it. This chemical may cause inflammation to the skin or other mucous membranes.

Physical properties of [1,1'-Biphenyl]-4-carboxylicacid, 3'-(trifluoromethyl)-: (1)ACD/LogP: 4.81; (2)ACD/LogD (pH 5.5): 3.38; (3)ACD/LogD (pH 7.4): 1.88; (4)ACD/BCF (pH 5.5): 99.09; (5)ACD/BCF (pH 7.4): 3.14; (6)ACD/KOC (pH 5.5): 367.29; (7)ACD/KOC (pH 7.4): 11.65; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Index of Refraction: 1.537; (12)Molar Refractivity: 62.75 cm³; (13)Molar Volume: 200.7 cm³; (14)Surface Tension: 38.4 dyne/cm; (15)Density: 1.326 g/cm³; (16)Flash Point: 181 °C; (17)Enthalpy of Vaporization: 65.75 kJ/mol; (18)Boiling Point: 375.7 °C at 760 mmHg; (19)Vapour Pressure: 2.6E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC(=CC(=C1)C(F)(F)F)C2=CC=C(C=C2)C(=O)O
(2)InChI: InChI=1S/C14H9F3O2/c15-14(16,17)12-3-1-2-11(8-12)9-4-6-10(7-5-9)13(18)19/h1-8H,(H,18,19)
(3)InChIKey: LFMPHDUPXVEMAB-UHFFFAOYSA-N

Product Name

3'-TRIFLUOROMETHYLBIPHENYL-4-CARBOXYLIC ACID

[1,1'-Biphenyl]-4-carboxylicacid, 3'-(trifluoromethyl)- Specification

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