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[1,1'-Biphenyl]-4-amine,3'-fluoro-

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Name

[1,1'-Biphenyl]-4-amine,3'-fluoro-

EINECS N/A
CAS No. 5728-66-5 Density 1.161g/cm3
PSA 26.02000 LogP 3.65610
Solubility N/A Melting Point N/A
Formula C12H10FN Boiling Point 310.5 °C at 760 mmHg
Molecular Weight 223.67 Flash Point 160 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 5728-66-5 (3'-FLUORO-BIPHENYL-4-YLAMINE HYDROCHLORIDE) Hazard Symbols IrritantXi
Synonyms

4-Biphenylamine,3'-fluoro- (7CI,8CI);3'-Fluoro-4-phenylaniline;

Article Data 10

[1,1'-Biphenyl]-4-amine,3'-fluoro- Specification

The [1,1'-Biphenyl]-4-amine,3'-fluoro-, with CAS registry number 5728-66-5, has the systematic name of 3'-fluorobiphenyl-4-amine. Besides this, it is also called 3'-Fluoro-biphenyl-4-ylamine hydrochloride. And the chemical formula of this chemical is C12H10FN.

Physical properties of [1,1'-Biphenyl]-4-amine,3'-fluoro-: (1)ACD/LogP: 3.02; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3.02; (5)ACD/BCF (pH 5.5): 110.04; (6)ACD/BCF (pH 7.4): 116.52; (7)ACD/KOC (pH 5.5): 990.35; (8)ACD/KOC (pH 7.4): 1048.69; (9)#H bond acceptors: 1; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 3.24 Å2; (13)Index of Refraction: 1.598; (14)Molar Refractivity: 55.07 cm3; (15)Molar Volume: 161.2 cm3; (16)Polarizability: 21.83×10-24cm3; (17)Surface Tension: 43.3 dyne/cm; (18)Density: 1.161 g/cm3; (19)Flash Point: 160 °C; (20)Enthalpy of Vaporization: 55.14 kJ/mol; (21)Boiling Point: 310.5 °C at 760 mmHg; (22)Vapour Pressure: 0.000596 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc2cc(c1ccc(N)cc1)ccc2
(2)InChI: InChI=1/C12H10FN/c13-11-3-1-2-10(8-11)9-4-6-12(14)7-5-9/h1-8H,14H2
(3)InChIKey: DOUHEBIOTFMLAJ-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C12H10FN/c13-11-3-1-2-10(8-11)9-4-6-12(14)7-5-9/h1-8H,14H2
(5)Std. InChIKey: DOUHEBIOTFMLAJ-UHFFFAOYSA-N

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