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CAS No.: | 21655-73-2 |
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Name: | 1,1-Bis-(4-bromophenyl)-2,2-dichloroethylene |
Molecular Structure: | |
Formula: | C14H8Br2Cl2 |
Molecular Weight: | 406.932 |
Synonyms: | Ethylene, 1,1-bis(p-bromo-phenyl)-2,2-dichloro-;1,1'-(2,2-Dichloroethene-1,1-diyl)bis(4-bromobenzene); |
Density: | 1.729 g/cm3 |
Boiling Point: | 414 °C at 760 mmHg |
Flash Point: | 236 °C |
PSA: | 0.00000 |
LogP: | 6.40610 |
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The Benzene, 1, 1'-(dichloroethenylidene)bis[4-bromo- (9CI), with the CAS registry number of 21655-73-2, is also known as 1,1'-(2,2-Dichloroethene-1,1-diyl)bis(4-bromobenzene). This chemical's molecular formula is C14H8Br2Cl2 and molecular weight is 406.9273. What's more, its IUPAC name is 1-Bromo-4-[1-(4-bromophenyl)-2, 2-dichloroethenyl]benzene.
Physical properties about Benzene, 1, 1'-(dichloroethenylidene)bis[4-bromo- (9CI) are: (1)ACD/LogP: 7.10; (2)# of Rule of 5 Violations: 1; (3)#H bond acceptors: 0; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 0 Å2; (7)Index of Refraction: 1.646; (8)Molar Refractivity: 85.47 cm3; (9)Molar Volume: 235.2 cm3; (10)Polarizability: 33.88×10-24 cm3; (11)Surface Tension: 47.9 dyne/cm; (12)Density: 1.729 g/cm3; (13)Flash Point: 236 °C; (14)Enthalpy of Vaporization: 64.09 kJ/mol; (15)Boiling Point: 414 °C at 760 mmHg; (16)Vapour Pressure: 1.11E-06 mmHg at 25 °C.
You can still convert the following data into molecular structure:
(1) SMILES: Brc2ccc(\C(=C(/Cl)Cl)c1ccc(Br)cc1)cc2
(2) InChI: InChI=1/C14H8Br2Cl2/c15-11-5-1-9(2-6-11)13(14(17)18)10-3-7-12(16)8-4-10/h1-8H
(3) InChIKey: XYMOLSVHRUAQPB-UHFFFAOYAC