CAS No.7598-80-3,alpha-phenyl[1,1'-biphenyl]-4-methanol Suppliers

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Basic Information

Molecular Structure:
CAS No.:	7598-80-3
Name:	alpha-phenyl[1,1'-biphenyl]-4-methanol
Article Data:	71

Formula:	C₁₉H₁₆O
Molecular Weight:	260.335
Synonyms:	Benzhydrol,4-phenyl- (6CI);4-Biphenylylphenylcarbinol;4-Phenylbenzhydrol;Biphenyl-4-ylphenyl methanol;NSC 16333;p-Phenylbenzhydrol;α-Phenyl-4-biphenylmethanol;4-Phenyldiphenyl Acohol;benzenemethanol, α-[1,1'-biphenyl]-4-yl-;α-Phenyl(1,1'-biphenyl)-4-methanol;
EINECS:	231-506-1
Density:	1.12 g/cm³
Boiling Point:	435.6 °C at 760 mmHg
Flash Point:	180.6 °C
PSA:	20.23000
LogP:	4.43530

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Specification

The [1,1'-Biphenyl]-4-methanol,α-phenyl-, with the CAS registry number 7598-80-3 and EINECS registry number 231-506-1, has the systematic name of biphenyl-4-yl(phenyl)methanol. It is also called α-Phenyl(1,1'-biphenyl)-4-methanol. And the molecular formula of the chemical is C₁₉H₁₆O.

The characteristics of [1,1'-Biphenyl]-4-methanol,α-phenyl- are as followings: (1)ACD/LogP: 4.50; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.5; (4)ACD/LogD (pH 7.4): 4.5; (5)ACD/BCF (pH 5.5): 1544.98; (6)ACD/BCF (pH 7.4): 1544.98; (7)ACD/KOC (pH 5.5): 6671.6; (8)ACD/KOC (pH 7.4): 6671.59; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 9.23 Å²; (13)Index of Refraction: 1.62; (14)Molar Refractivity: 81.69 cm³; (15)Molar Volume: 232.3 cm³; (16)Polarizability: 32.38×10^-24cm³; (17)Surface Tension: 46.5 dyne/cm; (18)Density: 1.12 g/cm³; (19)Flash Point: 180.6 °C; (20)Enthalpy of Vaporization: 72.93 kJ/mol; (21)Boiling Point: 435.6 °C at 760 mmHg; (22)Vapour Pressure: 2.33E-08 mmHg at 25°C.

Uses of [1,1'-Biphenyl]-4-methanol,α-phenyl-: It can react with 4-Phenyl-benzhydrol to produce 1-[a-(4-Biphenylyl)benzyl]imidazole-4,5-dicarbonitrile. This reaction will need reagent DEAD and Ph₃P, and the menstruum tetrahydrofuran. The reaction time is 24 hours with ambient temperature, and the yield is about 96%.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: OC(c1ccccc1)c3ccc(c2ccccc2)cc3
(2)InChI: InChI=1/C19H16O/c20-19(17-9-5-2-6-10-17)18-13-11-16(12-14-18)15-7-3-1-4-8-15/h1-14,19-20H
(3)InChIKey: WMFZVLIHQVUVGO-UHFFFAOYAA

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
rat	LC50	inhalation	> 182mg/m3/4H (182mg/m³)		International Journal of Toxicology. Vol. 16(Suppl,
rat	LD50	oral	> 5gm/kg (5000mg/kg)		International Journal of Toxicology. Vol. 16(Suppl,