Name: 1,1-DIPHENYLBUT-1-ENE
SKU: 1726-14-3

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Basic Information

Molecular Structure:
CAS No.:	1726-14-3
Name:	1,1-DIPHENYLBUT-1-ENE
Article Data:	45

Formula:	C₁₆H₁₆
Molecular Weight:	208.303
Synonyms:	(1-Phenyl-1-butenyl)benzene;
EINECS:	1533716-785-6
Density:	0.976 g/cm³
Melting Point:	-1.19°C
Boiling Point:	296 °C at 760 mmHg
Flash Point:	144.7 °C
PSA:	0.00000
LogP:	4.52830

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Specification

The Benzene,1,1'-(1-butenylidene)bis-, with the CAS registry number 1726-14-3, is also known as (1-Phenyl-1-butenyl)benzene. This chemical's molecular formula is C₁₆H₁₆ and molecular weight is 208.30. What's more, its systematic name is 1,1'-but-1-ene-1,1-diyldibenzene.

Physical properties of Benzene,1,1'-(1-butenylidene)bis- are: (1)ACD/LogP: 5.92; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.92; (4)ACD/LogD (pH 7.4): 5.92; (5)ACD/BCF (pH 5.5): 18474.73; (6)ACD/BCF (pH 7.4): 18474.73; (7)ACD/KOC (pH 5.5): 39409.73; (8)ACD/KOC (pH 7.4): 39409.73; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 0 Å²; (13)Index of Refraction: 1.568; (14)Molar Refractivity: 69.81 cm³; (15)Molar Volume: 213.3 cm³; (16)Polarizability: 27.67×10^-24cm³; (17)Surface Tension: 36.5 dyne/cm; (18)Density: 0.976 g/cm³; (19)Flash Point: 144.7 °C; (20)Enthalpy of Vaporization: 51.43 kJ/mol; (21)Boiling Point: 296 °C at 760 mmHg; (22)Vapour Pressure: 0.0026 mmHg at 25°C.

Preparation: this chemical can be prepared by benzhydrylidene-cyclopropane at the temperature of 80°C. It will need reagent triethoxysilane and solvent toluene with the reaction time of 40 hours. This reaction will also need catalyst Rh(PPh₃)Cl. The yield is about 43%.

Benzene,1,1'-(1-butenylidene)bis- can be prepared by benzhydrylidene-cyclopropane at the temperature of 80°C

Uses of Benzene,1,1'-(1-butenylidene)bis-: it can be used to produce 2-bromo-1,1-diphenyl-1-butene at the temperature of 77°C. It will need reagents bromine, silica gel and solvent CCl₄ with the reaction time of 3 hours. The yield is about 64%.

Benzene,1,1'-(1-butenylidene)bis- can be used to produce 2-bromo-1,1-diphenyl-1-butene at the temperature of 77°C

You can still convert the following datas into molecular structure:
(1)SMILES: C(=C(\c1ccccc1)c2ccccc2)\CC
(2)Std. InChI: InChI=1S/C16H16/c1-2-9-16(14-10-5-3-6-11-14)15-12-7-4-8-13-15/h3-13H,2H2,1H3
(3)Std. InChIKey: FKDKAGHZAOFATR-UHFFFAOYSA-N