1,4-DIBROMOBENZENE-D4

The Benzene-1,2,4,5-d4,3,6-dibromo- is an organic compound with the formula C₆Br₂D₄. The systematic name of this chemical is 1,4-dibromo(~2~H_4_)benzene. With the CAS registry number 4165-56-4, it is also named as 1,4-Dibromobenzene-d4. The product's categories are Alphabetical Listings; D; Stable Isotopes. Besides, it should be stored in a closed cool and dry place.

Physical properties about Benzene-1,2,4,5-d4,3,6-dibromo- are: (1)ACD/LogP: 3.79; (2)ACD/LogD (pH 5.5): 3.79; (3)ACD/LogD (pH 7.4): 3.79; (4)ACD/BCF (pH 5.5): 446.34; (5)ACD/BCF (pH 7.4): 446.34; (6)ACD/KOC (pH 5.5): 2743.08; (7)ACD/KOC (pH 7.4): 2743.08; (8)Index of Refraction: 1.599; (9)Molar Refractivity: 41.63 cm³; (10)Molar Volume: 121.8 cm³; (11)Polarizability: 16.5×10^-24cm³; (12)Surface Tension: 41 dyne/cm; (13)Density: 1.969 g/cm³; (14)Flash Point: 89.3 °C; (15)Enthalpy of Vaporization: 43.58 kJ/mol; (16)Boiling Point: 217.9 °C at 760 mmHg; (17)Vapour Pressure: 0.191 mmHg at 25°C.

Preparation: this chemical can be prepared by hexadeuterio-benzene. This reaction will need reagent bromine and solvent pyridine. The yield is about 3%.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: [2H]c1c(Br)c([2H])c([2H])c(Br)c1[2H]
(2)InChI: InChI=1/C6H4Br2/c7-5-1-2-6(8)4-3-5/h1-4H/i1D,2D,3D,4D
(3)InChIKey: SWJPEBQEEAHIGZ-RHQRLBAQEL
(4)Std. InChI: InChI=1S/C6H4Br2/c7-5-1-2-6(8)4-3-5/h1-4H/i1D,2D,3D,4D
(5)Std. InChIKey: SWJPEBQEEAHIGZ-RHQRLBAQSA-N