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56181-66-9

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Basic Information
CAS No.: 56181-66-9
Name: 3-[1,1'-Biphenyl]-4-yl-1,2,3,4-tetrahydro-1-naphthol
Molecular Structure:
Molecular Structure of 56181-66-9 (3-[1,1'-Biphenyl]-4-yl-1,2,3,4-tetrahydro-1-naphthol)
Formula: C22H20O
Molecular Weight: 300.4
Synonyms: 3-(4-Biphenylyl)-1,2,3,4-tetrahydro-1-naphthol;3-p-Biphenylyl-1-tetralinol;
EINECS: 260-034-9
Density: 1.143 g/cm3
Boiling Point: 475.4 °C at 760 mmHg
Flash Point: 187.4 °C
Appearance: Cream To Pale Solid Powder
PSA: 20.23000
LogP: 5.11700
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Specification

The 3-[1,1'-Biphenyl]-4-yl-1,2,3,4-tetrahydro-1-naphthol is an organic compound with the formula C22H20O. The systematic name of this chemical is 3-(biphenyl-4-yl)-1,2,3,4-tetrahydronaphthalen-1-ol. With the CAS registry number 56181-66-9, it is also named as 1-naphthalenol, 3-[1,1'-biphenyl]-4-yl-1,2,3,4-tetrahydro-.

Physical properties about 3-[1,1'-Biphenyl]-4-yl-1,2,3,4-tetrahydro-1-naphthol are: (1)ACD/LogP: 5.49; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.49; (4)ACD/LogD (pH 7.4): 5.49; (5)ACD/BCF (pH 5.5): 8800.34; (6)ACD/BCF (pH 7.4): 8800.34; (7)ACD/KOC (pH 5.5): 23177.29; (8)ACD/KOC (pH 7.4): 23177.29; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.631; (14)Molar Refractivity: 93.66 cm3; (15)Molar Volume: 262.7 cm3; (16)Polarizability: 37.13×10-24cm3; (17)Surface Tension: 46.7 dyne/cm; (18)Density: 1.143 g/cm3; (19)Flash Point: 187.4 °C; (20)Enthalpy of Vaporization: 77.84 kJ/mol; (21)Boiling Point: 475.4 °C at 760 mmHg; (22)Vapour Pressure: 7.6E-10 mmHg at 25°C.

Uses of 3-[1,1'-Biphenyl]-4-yl-1,2,3,4-tetrahydro-1-naphthol: it can be used to produce 3-(1,1'-biphenyl)-4-yl-1-bromo-1,2,3,4-tetrahydronaphthalene at temperature of 0 °C. It will need reagent PBr3 and solvent CH2Cl2. The yield is about 95%.

You can still convert the following datas into molecular structure:
(1)SMILES: OC4c1ccccc1CC(c3ccc(c2ccccc2)cc3)C4
(2)InChI: InChI=1/C22H20O/c23-22-15-20(14-19-8-4-5-9-21(19)22)18-12-10-17(11-13-18)16-6-2-1-3-7-16/h1-13,20,22-23H,14-15H2
(3)InChIKey: YZWIKXHPIWMMIG-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C22H20O/c23-22-15-20(14-19-8-4-5-9-21(19)22)18-12-10-17(11-13-18)16-6-2-1-3-7-16/h1-13,20,22-23H,14-15H2
(5)Std. InChIKey: YZWIKXHPIWMMIG-UHFFFAOYSA-N