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CAS No.: | 51678-43-4 |
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Name: | 1,2,3,4-TETRAKIS(BROMOMETHYL)BENZENE |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C10H10Br4 |
Molecular Weight: | 449.80 |
Synonyms: | 1,2,3,4-TETRAKIS(BROMOMETHYL)BENZENE |
Density: | 2.168 g/cm3; |
Boiling Point: | 402.4 °C at 760 mmHg |
Flash Point: | 191.1 °C |
PSA: | 0.00000 |
LogP: | 5.26620 |
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The Benzene,1,2,3,4-tetrakis(bromomethyl)- has CAS registry number 51678-43-4. This chemical's molecular formula is C10H10Br4 and molecular weight is 449.80. What's more, its systematic name is 1,2,3,4-tetrakis(bromomethyl)benzene.
Physical properties of Benzene,1,2,3,4-tetrakis(bromomethyl)- are: (1)ACD/LogP: 5.26; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.26; (4)ACD/LogD (pH 7.4): 5.26; (5)ACD/BCF (pH 5.5): 5895.43; (6)ACD/BCF (pH 7.4): 5895.43; (7)ACD/KOC (pH 5.5): 17399.1; (8)ACD/KOC (pH 7.4): 17399.1; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.663; (14)Molar Refractivity: 76.84 cm3; (15)Molar Volume: 207.4 cm3; (16)Polarizability: 30.46×10-24cm3; (17)Surface Tension: 54.3 dyne/cm; (18)Density: 2.168 g/cm3; (19)Flash Point: 191.1 °C; (20)Enthalpy of Vaporization: 62.81 kJ/mol; (21)Boiling Point: 402.4 °C at 760 mmHg; (22)Vapour Pressure: 2.55E-06 mmHg at 25°C.
Preparation: this chemical can be prepared by 1,2,3,4-tetramethyl-benzene by heating. This reaction will need reagent N-bromosuccinimide and solvent CCl4 with the reaction time of 30 min. The yield is about 45%.
Uses of Benzene,1,2,3,4-tetrakis(bromomethyl)-: it can be used to produce 2,7-Di-tert-butyl-1,2,3,6,7,8-hexahydro-benzo-[1,2-c:3,4-c']dipyrrol at the ambient temperature. It will need solvent benzene with the reaction time of 1 day. The yield is about 61%.
You can still convert the following datas into molecular structure:
(1)SMILES: BrCc1c(ccc(c1CBr)CBr)CBr
(2)Std. InChI: InChI=1S/C10H10Br4/c11-3-7-1-2-8(4-12)10(6-14)9(7)5-13/h1-2H,3-6H2
(3)Std. InChIKey: IIYIEWLCGSETQQ-UHFFFAOYSA-N