CAS No.10540-39-3,3-(4-FLUOROPHENYL)BENZOIC ACID Suppliers

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Basic Information

Molecular Structure:
CAS No.:	10540-39-3
Name:	3-(4-FLUOROPHENYL)BENZOIC ACID
Article Data:	9

Formula:	C₁₃H₉FO₂
Molecular Weight:	216.212
Synonyms:	3-Biphenylcarboxylicacid, 4'-fluoro- (7CI,8CI);3-(4-Fluorophenyl)benzoic acid;4'-Fluorobiphenyl-3-carboxylic acid;
Density:	1.261g/cm³
Boiling Point:	388.6 °C at 760 mmHg
Flash Point:	188.8 °C
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36/37/39
PSA:	37.30000
LogP:	3.19090

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Specification

The 4'-Fluorobiphenyl-3-carboxylic acid, with CAS registry number 10540-39-3, has the systematic name of 4'-fluorobiphenyl-3-carboxylic acid. And its IUPAC name is 3-(4-fluorophenyl)benzoic acid. Besides this, it is also called [1,1'-Biphenyl]-3-carboxylic acid, 4'-fluoro-. And the chemical formula of this chemical is C₁₃H₉FO_2.

Physical properties of 4'-Fluorobiphenyl-3-carboxylic acid: (1)ACD/LogP: 3.77; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.34; (4)ACD/LogD (pH 7.4): 0.84; (5)ACD/BCF (pH 5.5): 16.18; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 100.36; (8)ACD/KOC (pH 7.4): 3.18; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.588; (14)Molar Refractivity: 57.76 cm³; (15)Molar Volume: 171.4 cm³; (16)Polarizability: 22.9×10^-24cm³; (17)Surface Tension: 47.4 dyne/cm; (18)Enthalpy of Vaporization: 67.28 kJ/mol; (19)Vapour Pressure: 9.78E-07 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The 4'-Fluorobiphenyl-3-carboxylic acid irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If 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: Fc2ccc(c1cccc(C(=O)O)c1)cc2
(2)InChI: InChI=1/C13H9FO2/c14-12-6-4-9(5-7-12)10-2-1-3-11(8-10)13(15)16/h1-8H,(H,15,16)
(3)InChIKey: YUQPLNXKGVRIAJ-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C13H9FO2/c14-12-6-4-9(5-7-12)10-2-1-3-11(8-10)13(15)16/h1-8H,(H,15,16)
(5)Std. InChIKey: UQPLNXKGVRIAJ-UHFFFAOYSA-N