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CAS No.: | 35335-16-1 |
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Name: | 1,4-DIBROMO-2,5-BIS(BROMMETHYL)BENZENE |
Article Data: | 31 |
Molecular Structure: | |
Formula: | C8H6Br4 |
Molecular Weight: | 421.752 |
Synonyms: | 1,4-Dibromo-2,5-bis(bromomethyl)benzene;2,5-Bis(Bromomethyl)-1,4-dibromobenzene;a,a',2,5-Tetrabromo-p-xylene; |
Density: | 2.332 g/cm3 |
Melting Point: | 171-177℃ |
Boiling Point: | 391.9 °C at 760 mmHg |
Flash Point: | 185.1 °C |
Hazard Symbols: | C |
PSA: | 0.00000 |
LogP: | 5.00140 |
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The Benzene,1,4-dibromo-2,5-bis(bromomethyl)-, with the CAS registry number 35335-16-1, has the systematic name of 1,4-dibromo-2,5-bis(bromomethyl)benzene. It belongs to the product categories of Blocks and Bromides. And the molecular formula of the chemical is C8H6Br4.
The characteristics of Benzene,1,4-dibromo-2,5-bis(bromomethyl)- are as followings: (1)ACD/LogP: 5.19; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.19; (4)ACD/LogD (pH 7.4): 5.19; (5)ACD/BCF (pH 5.5): 5185.55; (6)ACD/BCF (pH 7.4): 5185.55; (7)ACD/KOC (pH 5.5): 15872.4; (8)ACD/KOC (pH 7.4): 15872.4; (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: 1.662; (14)Molar Refractivity: 66.92 cm3; (15)Molar Volume: 180.7 cm3; (16)Polarizability: 26.53×10-24cm3; (17)Surface Tension: 52.2 dyne/cm; (18)Density: 2.332 g/cm3; (19)Flash Point: 185.1 °C; (20)Enthalpy of Vaporization: 61.65 kJ/mol; (21)Boiling Point: 391.9 °C at 760 mmHg; (22)Vapour Pressure: 5.37E-06 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: BrCc1cc(Br)c(cc1Br)CBr
(2)InChI: InChI=1/C8H6Br4/c9-3-5-1-7(11)6(4-10)2-8(5)12/h1-2H,3-4H2
(3)InChIKey: UOCMTKLYRROETA-UHFFFAOYAO