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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 | Hazard Symbols | Xi | |
Synonyms |
4-Biphenylamine,3'-fluoro- (7CI,8CI);3'-Fluoro-4-phenylaniline; |
Article Data | 10 |
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