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CAS No.: | 55231-64-6 |
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Name: | pentakis(bromomethyl)benzene |
Molecular Structure: | |
Formula: | C11H11Br5 |
Molecular Weight: | 542.728 |
Synonyms: | 1,2,3,4,5-Pentakis(bromomethyl)benzene;Pentakis(bromomethyl)benzene; |
EINECS: | 259-541-8 |
Density: | 2.291 g/cm3 |
Boiling Point: | 455.5 °C at 760 mmHg |
Flash Point: | 221.2 °C |
PSA: | 0.00000 |
LogP: | 6.16110 |
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The Benzene,1,2,3,4,5-pentakis(bromomethyl)-, with the CAS registry number 55231-64-6, is also known as Pentakis(bromomethyl)benzene. Its EINECS number is 259-541-8. This chemical's molecular formula is C11H11Br5 and molecular weight is 542.73. What's more, its IUPAC name is 1,2,3,4,5-pentakis(bromomethyl)benzene.
Physical properties of Benzene,1,2,3,4,5-pentakis(bromomethyl)- are: (1)ACD/LogP: 6.05; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 6.05; (4)ACD/LogD (pH 7.4): 6.05; (5)ACD/BCF (pH 5.5): 23149.11; (6)ACD/BCF (pH 7.4): 23149.11; (7)ACD/KOC (pH 5.5): 46314.72; (8)ACD/KOC (pH 7.4): 46314.72; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.679; (14)Molar Refractivity: 89.49 cm3; (15)Molar Volume: 236.8 cm3; (16)Polarizability: 35.47×10-24cm3; (17)Surface Tension: 57.3 dyne/cm; (18)Density: 2.291 g/cm3; (19)Flash Point: 221.2 °C; (20)Enthalpy of Vaporization: 68.78 kJ/mol; (21)Boiling Point: 455.5 °C at 760 mmHg; (22)Vapour Pressure: 4.72E-08 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: BrCc1c(c(cc(c1CBr)CBr)CBr)CBr
(2)Std. InChI: InChI=1S/C11H11Br5/c12-2-7-1-8(3-13)10(5-15)11(6-16)9(7)4-14/h1H,2-6H2
(3)Std. InChIKey: IVNSAUPBGDNDGZ-UHFFFAOYSA-N