CAS No.5731-10-2,4'-FLUORO-BIPHENYL-4-CARBOXYLIC ACID Suppliers

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Basic Information

Molecular Structure:
CAS No.:	5731-10-2
Name:	4'-FLUORO-BIPHENYL-4-CARBOXYLIC ACID
Article Data:	38

Formula:	C₁₃H₉FO₂
Molecular Weight:	216.212
Synonyms:	4-(4-fluorophenyl)benzoate;4-Fluoro-biphenyl-4-carboxylic acid;4'-Fluoro-1,1'-biphenyl-4-carboxylic acid;4'-Fluoro-1,1'-biphenyl-4-carboxylic acid (IM OCS);
Density:	1.261 gcm/³
Melting Point:	235-240 °C
Boiling Point:	369.4 °C at 760 mmHg
Flash Point:	177.2 °C
Hazard Symbols:	Xn,N,Xi
Risk Codes:	22-36/37/38-51/53
Safety:	26-60-61
PSA:	37.30000
LogP:	3.19090

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Specification

The CAS register number of 4'-Fluorobiphenyl-4-carboxylic acid is 5731-10-2. It also can be called as [1,1'-Biphenyl]-4-carboxylic acid, 4'-fluoro- and the IUPAC name about this chemical is 4-(4-fluorophenyl)benzoic acid. The molecular formula about this chemical is C₁₃H₉FO₂ and the molecular weight is 216.21. It belongs to the following product categories which include Biphenyls; pharmacetical; C13 to C42+; Carbonyl Compounds; Carboxylic Acids and so on.

Physical properties about 4'-Fluorobiphenyl-4-carboxylic acid are: (1)ACD/LogP: 3.68; (2)ACD/LogD (pH 5.5): 2.31; (3)ACD/LogD (pH 7.4): 0.78; (4)ACD/BCF (pH 5.5): 15.85; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 102.62; (7)ACD/KOC (pH 7.4): 3.03; (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: 1.588; (13)Molar Refractivity: 57.76 cm³; (14)Molar Volume: 171.4 cm³; (15)Polarizability: 22.9x10^-24cm³; (16)Surface Tension: 47.4 dyne/cm; (17)Enthalpy of Vaporization: 65.01 kJ/mol; (18)Boiling Point: 369.4 °C at 760 mmHg; (19)Vapour Pressure: 4.14E-06 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical is toxic to aquatic organisms, it may cause long-term adverse effects in the aquatic environment. It is harmful if swallowed. This chemical is irritating to eyes, respiratory system and skin. This material and its container must be disposed of as hazardous waste. When you are using it, please avoid release to the environment and refer to special instructions / safety data sheets. 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: Fc2ccc(c1ccc(C(=O)O)cc1)cc2
(2)InChI: InChI=1/C13H9FO2/c14-12-7-5-10(6-8-12)9-1-3-11(4-2-9)13(15)16/h1-8H,(H,15,16)
(3)InChIKey: LXWNTLBMNCXRQN-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C13H9FO2/c14-12-7-5-10(6-8-12)9-1-3-11(4-2-9)13(15)16/h1-8H,(H,15,16)
(5)Std. InChIKey: LXWNTLBMNCXRQN-UHFFFAOYSA-N