CAS No.833-81-8,ALPHA-METHYLSTILBENE Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	833-81-8
Name:	ALPHA-METHYLSTILBENE
Article Data:	245

Formula:	C₁₅H₁₄
Molecular Weight:	194.276
Synonyms:	1-Methyl-1,2-diphenylethene;1-Propene, 1,2-diphenyl-;1,2-Diphenyl-1-propene;1,1'-(1E)-Prop-1-ene-1,2-diyldibenzene;(E)-α-Methylstilbene;Stilbene, α-methyl-;
EINECS:	212-300-0
Density:	1.009 g/cm³
Melting Point:	81-83 °C(lit.)
Boiling Point:	282.5 °C at 760 mmHg
Flash Point:	124.5 °C
PSA:	0.00000
LogP:	4.24710

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Specification

The Benzene,1,1'-[(1E)-1-methyl-1,2-ethenediyl]bis-, with the CAS registry number 833-81-8, is also known as 1-Methyl-1,2-diphenylethene. It belongs to the product categories of Arenes; Building Blocks; Organic Building Blocks. Its EINECS number is 212-300-0. This chemical's molecular formula is C₁₅H₁₄ and molecular weight is 194.27. What's more, its IUPAC name is [(E)-1-phenylprop-1-en-2-yl]benzene.

Physical properties of Benzene,1,1'-[(1E)-1-methyl-1,2-ethenediyl]bis- are: (1)ACD/LogP: 5.39; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.39; (4)ACD/LogD (pH 7.4): 5.39; (5)ACD/BCF (pH 5.5): 7290.41; (6)ACD/BCF (pH 7.4): 7290.41; (7)ACD/KOC (pH 5.5): 20255.76; (8)ACD/KOC (pH 7.4): 20255.76; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 0 Å²; (13)Index of Refraction: 1.612; (14)Molar Refractivity: 66.92 cm³; (15)Molar Volume: 192.5 cm³; (16)Polarizability: 26.52×10^-24cm³; (17)Surface Tension: 39.3 dyne/cm; (18)Density: 1.009 g/cm³; (19)Flash Point: 124.5 °C; (20)Enthalpy of Vaporization: 50.04 kJ/mol; (21)Boiling Point: 282.5 °C at 760 mmHg; (22)Vapour Pressure: 0.00571 mmHg at 25°C.

Preparation: this chemical can be prepared by 2,3-diphenyl-propene at the ambient temperature. This reaction will need reagent liquid sulphur dioxide. The yield is about 75%.

Benzene,1,1'-[(1E)-1-methyl-1,2-ethenediyl]bis- can be prepared by 2,3-diphenyl-propene at the ambient temperature

Uses of Benzene,1,1'-[(1E)-1-methyl-1,2-ethenediyl]bis-: it can be used to produce 2-cyano-3-methyl-2,4-dinitro-3,4-diphenyl-butyric acid ethyl ester. It will need solvent diethyl ether with the reaction time of 10 days. The yield is about 52%.

Benzene,1,1'-[(1E)-1-methyl-1,2-ethenediyl]bis- can be used to produce 2-cyano-3-methyl-2,4-dinitro-3,4-diphenyl-butyric acid ethyl ester

You can still convert the following datas into molecular structure:
(1)SMILES: c2(\C=C(\c1ccccc1)C)ccccc2
(2)Std. InChI: InChI=1S/C15H14/c1-13(15-10-6-3-7-11-15)12-14-8-4-2-5-9-14/h2-12H,1H3/b13-12+
(3)Std. InChIKey: OVZXISBUYCEVEV-OUKQBFOZSA-N