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Benzene-1,3,5-d3,2-bromo- (8CI,9CI) (13122-41-3)

Identification
Name:Benzene-1,3,5-d3,2-bromo- (8CI,9CI)
Synonyms:Benzene-1,3,5-d3,bromo- (6CI,7CI); 2,4,6-d3-Bromobenzene
CAS:13122-41-3
Molecular Formula: C6H2 Br D3
Molecular Weight: 160.03
InChI: InChI=1S/C25H14/c1-13-12-18-9-8-16-5-3-14-2-4-15-6-7-17-10-11-19(13)25-23(17)21(15)20(14)22(16)24(18)25/h2-12H,1H3
Molecular Structure: (C6H2BrD3) Benzene-1,3,5-d3,bromo- (6CI,7CI); 2,4,6-d3-Bromobenzene
Properties
Density:1.515 g/cm3
Specification:

The cas register number of 2-Bromobenzene-1,3,5-D3 is 13122-41-3. It also can be called as Bromobenzene-2,4,6-D3 and the Systematic name about this chemical is Bromo(2,4,6-~2~H_3_)benzene.

Physical properties about 2-Bromobenzene-1,3,5-D3 are: (1)ACD/LogP: 2.94; (2)ACD/LogD (pH 5.5): 2.936; (3)ACD/LogD (pH 7.4): 2.936; (4)ACD/BCF (pH 5.5): 100.308; (5)ACD/BCF (pH 7.4): 100.308; (6)ACD/KOC (pH 5.5): 942.254; (7)ACD/KOC (pH 7.4): 942.254; (8)Index of Refraction: 1.556; (9)Molar Refractivity: 33.943 cm3; (10)Molar Volume: 105.618 cm3; (11)Polarizability: 13.456x10-24cm3; (12)Surface Tension: 35.48 dyne/cm; (13)Enthalpy of Vaporization: 37.488 kJ/mol; (14)Vapour Pressure: 4.124 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [2H]c1cc(c(c(c1)[2H])Br)[2H]
(2)InChI: InChI=1/C6H5Br/c7-6-4-2-1-3-5-6/h1-5H/i1D,4D,5D
(3)InChIKey: QARVLSVVCXYDNA-NHPOFCFZEB
(4)Std. InChI: InChI=1S/C6H5Br/c7-6-4-2-1-3-5-6/h1-5H/i1D,4D,5D
(5)Std. InChIKey: QARVLSVVCXYDNA-NHPOFCFZSA-N

Safety Data