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1841-58-3

Basic Information
CAS No.: 1841-58-3
Name: 3'-FLUORO-BIPHENYL-4-CARBOXYLIC ACID
Molecular Structure:
Molecular Structure of 1841-58-3 (3'-FLUORO-BIPHENYL-4-CARBOXYLIC ACID)
Formula: C13H9FO2
Molecular Weight: 216.212
Synonyms: 4-Biphenylcarboxylicacid, 3'-fluoro- (7CI,8CI);3'-Fluorobiphenyl-4-carboxylic acid;
Density: 1.261 g/cm3
Melting Point: 241-243°C
Boiling Point: 373.5 °C at 760 mmHg
Flash Point: 179.7 °C
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-36/37/39
PSA: 37.30000
LogP: 3.19090
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Specification

This chemical is called [1,1'-Biphenyl]-4-carboxylicacid, 3'-fluoro-, and its systematic name is 3'-fluorobiphenyl-4-carboxylic acid. With the molecular formula of C13H9FO2, its molecular weight is 216.21. The CAS registry number of this chemical is 1841-58-3.

Other characteristics of the [1,1'-Biphenyl]-4-carboxylicacid, 3'-fluoro- can be summarised as followings: (1)ACD/LogP: 4.00; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.6; (4)ACD/LogD (pH 7.4): 1.09; (5)ACD/BCF (pH 5.5): 25.39; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 140.3; (8)ACD/KOC (pH 7.4): 4.34; (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)Density: 1.261 g/cm3; (19)Flash Point: 179.7 °C; (20)Enthalpy of Vaporization: 65.48 kJ/mol; (21)Boiling Point: 373.5 °C at 760 mmHg; (22)Vapour Pressure: 3.07E-06 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure: 
1.SMILES: Fc2cc(c1ccc(C(=O)O)cc1)ccc2
2.InChI: InChI=1/C13H9FO2/c14-12-3-1-2-11(8-12)9-4-6-10(7-5-9)13(15)16/h1-8H,(H,15,16)
3.InChIKey: SJIIGBFXZWSXJP-UHFFFAOYAP