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CAS No.: | 39568-98-4 |
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Name: | 1,2,4,5-tetrabromo-3,6-bis(chloromethyl)benzene |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C8H4Br4Cl2 |
Molecular Weight: | 490.642 |
Synonyms: | 2,3,5,6-Tetrabromo-a,a'-dichloro-p-xylene; |
EINECS: | 254-519-4 |
Density: | 2.341 g/cm3 |
Boiling Point: | 469.7 °C at 760 mmHg |
Flash Point: | 246 °C |
PSA: | 0.00000 |
LogP: | 6.21420 |
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The Benzene,1,2,4,5-tetrabromo-3,6-bis(chloromethyl)- has CAS registry number 39568-98-4. Its EINECS number is 254-519-4. This chemical's molecular formula is C8H4Br4Cl2 and molecular weight is 490.64. What's more, its IUPAC name is 1,2,4,5-tetrabromo-3,6-bis(chloromethyl)benzene.
Physical properties of Benzene,1,2,4,5-tetrabromo-3,6-bis(chloromethyl)- are: (1)ACD/LogP: 5.54; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.54; (4)ACD/LogD (pH 7.4): 5.54; (5)ACD/BCF (pH 5.5): 9511.84; (6)ACD/BCF (pH 7.4): 9511.84; (7)ACD/KOC (pH 5.5): 24503.67; (8)ACD/KOC (pH 7.4): 24503.67; (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: 1.651; (14)Molar Refractivity: 76.54 cm3; (15)Molar Volume: 209.5 cm3; (16)Polarizability: 30.34×10-24cm3; (17)Surface Tension: 50.9 dyne/cm; (18)Density: 2.341 g/cm3; (19)Flash Point: 246 °C; (20)Enthalpy of Vaporization: 70.41 kJ/mol; (21)Boiling Point: 469.7 °C at 760 mmHg; (22)Vapour Pressure: 1.52E-08 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Brc1c(c(Br)c(Br)c(c1Br)CCl)CCl
(2)Std. InChI: InChI=1S/C8H4Br4Cl2/c9-5-3(1-13)6(10)8(12)4(2-14)7(5)11/h1-2H2
(3)Std. InChIKey: ILZQVEFCITYZFF-UHFFFAOYSA-N