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| CAS No.: | 69605-90-9 |
|---|---|
| Name: | 3-Biphenylmethanol |
| Article Data: | 49 |
| Molecular Structure: | |
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| Formula: | C13H12O |
| Molecular Weight: | 705.894 |
| Synonyms: | 3-Biphenylmethanol(6CI);3-Hydroxymethyl-1,1'-biphenyl;3-Phenylbenzyl alcohol;Biphenyl-3-ylmethanol; |
| Density: | 1.093 g/cm3 |
| Melting Point: | 48.0 to 52.0 °C |
| Boiling Point: | 334.8 °C at 760 mmHg |
| Flash Point: | 151.9 °C |
| PSA: | 20.23000 |
| LogP: | 2.84590 |
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Specification
The CAS register number of 3-Biphenylmethanol is 69605-90-9. It also can be called as [1,1'-Biphenyl]-3-methanol and the systematic name about this chemical is biphenyl-3-ylmethanol. It belongs to the API intermediates.
Physical properties about 3-Biphenylmethanol are: (1)ACD/LogP: 2.79; (2)ACD/LogD (pH 5.5): 2.79; (3)ACD/LogD (pH 7.4): 2.79; (4)ACD/BCF (pH 5.5): 77.97; (5)ACD/BCF (pH 7.4): 77.97; (6)ACD/KOC (pH 5.5): 786.75; (7)ACD/KOC (pH 7.4): 786.75; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 9.23Å2; (12)Index of Refraction: 1.595; (13)Molar Refractivity: 57.29 cm3; (14)Molar Volume: 168.5 cm3; (15)Polarizability: 22.71x10-24cm3; (16)Surface Tension: 44 dyne/cm; (17)Enthalpy of Vaporization: 60.98 kJ/mol; (18)Boiling Point: 334.8 °C at 760 mmHg; (19)Vapour Pressure: 4.94E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: OCc2cccc(c1ccccc1)c2
(2)InChI: InChI=1/C13H12O/c14-10-11-5-4-8-13(9-11)12-6-2-1-3-7-12/h1-9,14H,10H2
(3)InChIKey: WGUZZTGZDPJWSG-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C13H12O/c14-10-11-5-4-8-13(9-11)12-6-2-1-3-7-12/h1-9,14H,10H2
(5)Std. InChIKey: WGUZZTGZDPJWSG-UHFFFAOYSA-N