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[1,1'-Biphenyl]-4-carboxylicacid, 2'-fluoro-

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Name

[1,1'-Biphenyl]-4-carboxylicacid, 2'-fluoro-

EINECS N/A
CAS No. 365-12-8 Density 1.261 g/cm3
PSA 37.30000 LogP 3.19090
Solubility N/A Melting Point 230-232℃
Formula C13H9FO2 Boiling Point 363.9 °C at 760 mmHg
Molecular Weight 216.212 Flash Point 173.9 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 365-12-8 (2'-FLUOROBIPHENYL-4-CARBOXYLIC ACID) Hazard Symbols IrritantXi
Synonyms

2'-Fluoro[1,1'-biphenyl]-4-carboxylic acid;2'-Fluoro-4-biphenylcarboxylic acid;4-Biphenylcarboxylicacid, 2'-fluoro- (7CI,8CI);2'-Fluorobiphenyl-4-carboxylic acid;4-(2-Fluorophenyl)benzoic acid;

Article Data 15

[1,1'-Biphenyl]-4-carboxylicacid, 2'-fluoro- Specification

This chemical is called [1,1'-Biphenyl]-4-carboxylicacid, 2'-fluoro-, and it can also be named as 4-(2-fluorophenyl)benzoic acid. With the molecular formula of C13H9FO2, its molecular weight is 216.21. The CAS registry number of this chemical is 365-12-8, and its systematic name is 2'-Fluorobiphenyl-4-carboxylic acid. 

Other characteristics of the [1,1'-Biphenyl]-4-carboxylicacid, 2'-fluoro- can be summarised as follows: (1)ACD/LogP: 4.26; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.78; (4)ACD/LogD (pH 7.4): 1.31; (5)ACD/BCF (pH 5.5): 33.79; (6)ACD/BCF (pH 7.4): 1.15; (7)ACD/KOC (pH 5.5): 164.66; (8)ACD/KOC (pH 7.4): 5.58; (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: 22.9×10-24 cm3; (17)Surface Tension: 47.4 dyne/cm; (18)Density: 1.261 g/cm3; (19)Flash Point: 173.9 °C; (20)Enthalpy of Vaporization: 64.36 kJ/mol; (21)Boiling Point: 363.9 °C at 760 mmHg; (22)Vapour Pressure: 6.2E-06 mmHg at 25°C.

When you are using this chemical, please be cautious about it as follows: This chemical is irritating to eyes, respiratory system and skin. You should 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: Fc2ccccc2c1ccc(C(=O)O)cc1
2.InChI: InChI=1/C13H9FO2/c14-12-4-2-1-3-11(12)9-5-7-10(8-6-9)13(15)16/h1-8H,(H,15,16)
3.InChIKey: SLKZDWAZOKIEEU-UHFFFAOYAP

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