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CAS No.: | 884504-18-1 |
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Name: | (4'-FLUORO[1,1'-BIPHENYL]-2-YL)METHANAMINE |
Article Data: | 4 |
Molecular Structure: | |
Formula: | C13H12FN |
Molecular Weight: | 201.243 |
Synonyms: | 1-(4'-Fluorobiphenyl-2-yl)methanamine; |
Density: | 1.124g/cm3 |
Boiling Point: | 334.6 °C at 760 mmHg |
Flash Point: | 166.7 °C |
Hazard Symbols: | Xi |
Risk Codes: | 25 |
Safety: | 45 |
PSA: | 26.02000 |
LogP: | 3.65170 |
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The (4'-Fluorobiphenyl-2-yl)methanamine, with CAS registry number 884504-18-1, has the systematic name of 1-(4'-fluorobiphenyl-2-yl)methanamine. Besides this, it is also called (4'-Fluoro[1,1'-biphenyl]-2-yl)methanamine. And the chemical formula of this chemical is C13H12FN.
Physical properties of (4'-Fluorobiphenyl-2-yl)methanamine: (1)ACD/LogP: 2.78; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 3.24 Å2; (7)Index of Refraction: 1.576; (8)Molar Refractivity: 59.29 cm3; (9)Molar Volume: 178.9 cm3; (10)Polarizability: 23.5×10-24cm3; (11)Surface Tension: 41.3 dyne/cm; (12)Density: 1.124 g/cm3; (13)Flash Point: 166.7 °C; (14)Enthalpy of Vaporization: 57.75 kJ/mol; (15)Boiling Point: 334.6 °C at 760 mmHg; (16)Vapour Pressure: 0.000127 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Fc2ccc(c1c(cccc1)CN)cc2
(2)InChI: InChI=1/C13H12FN/c14-12-7-5-10(6-8-12)13-4-2-1-3-11(13)9-15/h1-8H,9,15H2
(3)InChIKey: MLXCERLVQPYBIA-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C13H12FN/c14-12-7-5-10(6-8-12)13-4-2-1-3-11(13)9-15/h1-8H,9,15H2
(5)Std. InChIKey: MLXCERLVQPYBIA-UHFFFAOYSA-N