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CAS No.: | 40088-45-7 |
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Name: | 1,2-dibromo-3-(3,4-dibromophenyl)benzene |
Molecular Structure: | |
Formula: | C12H6Br4 |
Molecular Weight: | 469.792 |
Synonyms: | 2,3,3',4'-tetrabromobiphenyl; |
Density: | 2.14 g/cm3 |
Melting Point: | 185 °C |
Boiling Point: | 419.3 °C at 760mmHg |
Flash Point: | 200.6 °C |
PSA: | 0.00000 |
LogP: | 6.40360 |
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The 1,1'-Biphenyl, tetrabromo-, with the CAS registry number 40088-45-7, has the systematic name of 2,3,3',4'-tetrabromobiphenyl. And the molecular formula of this chemical is C12H6Br4. What's more, it is a kind of organics, and should be stored in the dry and cool environment.
The physical properties of 1,1'-Biphenyl, tetrabromo- are as following: (1)ACD/LogP: 6.54; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.54; (4)ACD/LogD (pH 7.4): 6.54; (5)ACD/BCF (pH 5.5): 54874.35; (6)ACD/BCF (pH 7.4): 54874.35; (7)ACD/KOC (pH 5.5): 85905.79; (8)ACD/KOC (pH 7.4): 85905.79; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.666; (14)Molar Refractivity: 81.6 cm3; (15)Molar Volume: 219.4 cm3; (16)Polarizability: 32.35×10-24cm3; (17)Surface Tension: 49.6 dyne/cm; (18)Density: 2.14 g/cm3; (19)Flash Point: 200.6 °C; (20)Enthalpy of Vaporization: 64.69 kJ/mol; (21)Boiling Point: 419.3 °C at 760 mmHg; (22)Vapour Pressure: 7.49E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Brc2c(c1ccc(Br)c(Br)c1)cccc2Br
(2)InChI: InChI=1/C12H6Br4/c13-9-5-4-7(6-11(9)15)8-2-1-3-10(14)12(8)16/h1-6H
(3)InChIKey: GEASNODZMCZDOU-UHFFFAOYAW