CAS No.5728-66-5,3'-FLUORO-BIPHENYL-4-YLAMINE HYDROCHLORIDE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	5728-66-5
Name:	3'-FLUORO-BIPHENYL-4-YLAMINE HYDROCHLORIDE
Article Data:	10

Formula:	C₁₂H₁₀FN
Molecular Weight:	223.67
Synonyms:	4-Biphenylamine,3'-fluoro- (7CI,8CI);3'-Fluoro-4-phenylaniline;
Density:	1.161g/cm³
Boiling Point:	310.5 °C at 760 mmHg
Flash Point:	160 °C
Hazard Symbols:	Xi
PSA:	26.02000
LogP:	3.65610

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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