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CAS No.: | 121043-47-8 |
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Name: | Benzene,1,1'-(2-bromoethylidene)bis(4-chloro-) |
Molecular Structure: | |
Formula: | C14H11BrCl2 |
Molecular Weight: | 330.05 |
Synonyms: | 1,1'-(2-Bromoethane-1,1-diyl)bis(4-chlorobenzene); |
Density: | 1.478 g/cm3 |
Boiling Point: | 371.9 °C at 760 mmHg |
Flash Point: | 213.3 °C |
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The Benzene,1,1'-(2-bromoethylidene)bis(4-chloro-), with the CAS registry number 121043-47-8, is also known as 1,1'-(2-Bromoethane-1,1-diyl)bis(4-chlorobenzene). This chemical's molecular formula is C14H11BrCl2 and molecular weight is 330.05. What's more, its IUPAC name is 1-[2-bromo-1-(4-chlorophenyl)ethyl]-4-chlorobenzene.
Physical properties of Benzene,1,1'-(2-bromoethylidene)bis(4-chloro-) are: (1)ACD/LogP: 5.64; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.64; (4)ACD/LogD (pH 7.4): 5.64; (5)ACD/BCF (pH 5.5): 11425.54; (6)ACD/BCF (pH 7.4): 11425.54; (7)ACD/KOC (pH 5.5): 27939.4; (8)ACD/KOC (pH 7.4): 27939.4; (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: 1.613; (14)Molar Refractivity: 77.72 cm3; (15)Molar Volume: 223.1 cm3; (16)Polarizability: 30.81×10-24cm3; (17)Surface Tension: 45.8 dyne/cm; (18)Density: 1.478 g/cm3; (19)Flash Point: 213.3 °C; (20)Enthalpy of Vaporization: 59.47 kJ/mol; (21)Boiling Point: 371.9 °C at 760 mmHg; (22)Vapour Pressure: 2.14E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ccc(cc1)C(c2ccc(Cl)cc2)CBr
(2)Std. InChI: InChI=1S/C14H11BrCl2/c15-9-14(10-1-5-12(16)6-2-10)11-3-7-13(17)8-4-11/h1-8,14H,9H2
(3)Std. InChIKey: PEHQGSYXZOLXHE-UHFFFAOYSA-N