1,2,3,4-TETRAKIS(BROMOMETHYL)BENZENE

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 Ų; (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