CAS No.530-48-3,1,1-Diphenylethylene Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	530-48-3
Name:	1,1-Diphenylethylene
Article Data:	625

Formula:	C₁₄H₁₂
Molecular Weight:	180.249
Synonyms:	Ethylene,1,1-diphenyl- (8CI);1,1-Diphenylethene;1,1-Diphenylethylene;1,1'-Ethenylidenebis[benzene];NSC 57645;unsym-Diphenylethylene;a,a-Diphenylethylene;alpha-Methylene-diphenylmethane;a-Phenylstyrene;
EINECS:	208-482-6
Density:	0.991 g/cm³
Melting Point:	6 °C(lit.)
Boiling Point:	277.165 °C at 760 mmHg
Flash Point:	120.364 °C
Solubility:	Miscible with methanol, chloroform and ether. Insoluble in water.
Appearance:	Clear colorless to golden liquid
Safety:	23-24/25
PSA:	0.00000
LogP:	3.74810

Synthetic route

: 119-61-9
benzophenone

: 1779-49-3
Methyltriphenylphosphonium bromide

: 530-48-3
1,1-Diphenylethylene

Conditions

Conditions	Yield
Stage #1: Methyltriphenylphosphonium bromide With n-butyllithium In tetrahydrofuran Stage #2: benzophenone In tetrahydrofuran at 20℃; for 6h; Wittig reaction;	100%
Stage #1: Methyltriphenylphosphonium bromide With n-butyllithium In tetrahydrofuran at 0℃; for 1h; Inert atmosphere; Stage #2: benzophenone In tetrahydrofuran at 20℃; Inert atmosphere;	94%
Stage #1: Methyltriphenylphosphonium bromide With potassium tert-butylate In diethyl ether at 20℃; for 0.25h; Inert atmosphere; Stage #2: benzophenone In diethyl ether at 0℃; for 15h; Inert atmosphere;	87%

: 119-61-9
benzophenone

: 111317-20-5
(dichloroalumino)(trichlorotitanio)methane

: 530-48-3
1,1-Diphenylethylene

Conditions

Conditions	Yield
In toluene for 0.5h; Heating;	100%

: 2862-88-6
2,2-diphenylthiirane

: 23695-65-0
adamantane-2-thione

A: 530-48-3
1,1-Diphenylethylene

B: 52146-63-1
dispiro[tricyclo[3.3.1.1]decane-2,3''-(1,2,4)-trithiolane-5',2'-tricyclo[3.3.1.1]decane]

Conditions

Conditions	Yield
at 100℃; for 1h;	A 100% B 80%

...Expand

: 81194-43-6
dimethylallylsilyl 1,1-diphenylethyl ether

: 530-48-3
1,1-Diphenylethylene

Conditions

Conditions	Yield
With titanium tetrachloride In hexane at 0℃;	100%

: 140658-13-5
C29H21F6O2P

A: 530-48-3
1,1-Diphenylethylene

B: 140658-17-9
1-Phenyl-3,3-bis-trifluoromethyl-2-oxa-1-phospha-indan 1-oxide

Conditions

Conditions	Yield
In (2)H8-toluene at 111.3℃; Rate constant; Mechanism; Thermodynamic data; other temperatures, other solvents; kinetic solvent effect, ΔH(excit.), ΔS(excit.);	A 100% B 100%

: 119-61-9
benzophenone

: 79899-81-3
H2C=TiCl2

: 530-48-3
1,1-Diphenylethylene

Conditions

Conditions	Yield
Stage #1: benzophenone; H2C=TiCl2 In diethyl ether; toluene at -40 - 20℃; Stage #2: With water	100%

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Specification

The 1,1-Diphenylethylene, with the CAS registry number 530-48-3, is also known as alpha-Methylene-diphenylmethane. It belongs to the product categories of Acyclic; Alkenes; Organic Building Blocks; Building Blocks; Chemical Synthesis. Its EINECS number is 208-482-6. This chemical's molecular formula is C₁₄H₁₂ and molecular weight is 180.24. What's more, its systematic name is 1,1'-(1,1-Ethenediyl)dibenzene.

Physical properties of 1,1-Diphenylethylene are: (1)ACD/LogP: 3.796; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.80; (4)ACD/LogD (pH 7.4): 3.80; (5)ACD/BCF (pH 5.5): 451.61; (6)ACD/BCF (pH 7.4): 451.61; (7)ACD/KOC (pH 5.5): 2766.19; (8)ACD/KOC (pH 7.4): 2766.19; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2 ; (12)Index of Refraction: 1.577; (13)Molar Refractivity: 60.217 cm³; (14)Molar Volume: 181.83 cm³; (15)Polarizability: 23.872×10^-24cm³; (16)Surface Tension: 36.5 dyne/cm; (17)Density: 0.991 g/cm³; (18)Flash Point: 120.364 °C; (19)Enthalpy of Vaporization: 49.498 kJ/mol; (20)Boiling Point: 277.165 °C at 760 mmHg; (21)Vapour Pressure: 0.008 mmHg at 25°C.

Preparation: this chemical can be prepared by 1,1-diphenyl-ethanol at the temperature of 20 °C. This reaction will need reagent Ac₂O and solvent CH₂Cl₂ with the reaction time of 12 hours. This reaction will also need catalyst MgBr₂. The yield is about 90%.

1,1-Diphenylethylene can be prepared by 1,1-diphenyl-ethanol at the temperature of 20 °C

Uses of 1,1-Diphenylethylene: it can be used to produce 2-chloro-1,1-diphenyl-ethene at the ambient temperature. It will need reagents benzeneseleninyl chloride, AlCl₃ and solvent CH₂Cl₂ with the reaction time of 2 hours. The yield is about 94%.

1,1-Diphenylethylene can be used to produce 2-chloro-1,1-diphenyl-ethene at the ambient temperature

When you are using this chemical, please be cautious about it as the following:
You should not breathe gas/fumes/vapour/spray (appropriate wording to be specified by the manufacturer). When using it, you must avoid contact with skin and eyes.

You can still convert the following datas into molecular structure:
(1)SMILES: C=C(c1ccccc1)c2ccccc2
(2)Std. InChI: InChI=1S/C14H12/c1-12(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11H,1H2
(3)Std. InChIKey: ZMYIIHDQURVDRB-UHFFFAOYSA-N