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51209-82-6

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Basic Information
CAS No.: 51209-82-6
Name: 3,5-Dibromo-1,2-dimethylbenzene
Molecular Structure:
Molecular Structure of 51209-82-6 (3,5-Dibromo-1,2-dimethylbenzene)
Formula: C8H8Br2
Molecular Weight: 263.80
Synonyms: 1,5-Dibromo-2,3-dimethylbenzene;Benzene, 1,3-dibromo-4,5-dimethyl-;
Density: 1.71 g/cm3
Boiling Point: 269.4 °C at 760 mmHg
Flash Point: 131.1 °C
PSA: 0.00000
LogP: 3.82840
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    3,5-Dibromo-1,2-dimethylbenzene

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    Cat # I202A 3,5-dibromo-1,2-dimethylbenzene

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Specification

The 3,5-Dibromo-1,2-dimethylbenzene is an organic compound with the formula C8H8Br2. The systematic name of this chemical is 1,5-Dibromo-2,3-dimethylbenzene. With the CAS registry number 51209-82-6, it is also named as Benzene, 1,3-dibromo-4,5-dimethyl-. Besides, its molecular weight is 263.80.

The physical properties of 3,5-Dibromo-1,2-dimethylbenzene are: (1)ACD/LogP: 4.64; (2)ACD/LogD (pH 5.5): 4.64; (3)ACD/LogD (pH 7.4): 4.64; (4)ACD/BCF (pH 5.5): 1962.34; (5)ACD/BCF (pH 7.4): 1962.34; (6)ACD/KOC (pH 5.5): 7917.08; (7)ACD/KOC (pH 7.4): 7917.08; (8)Index of Refraction: 1.578; (9)Molar Refractivity: 51.28 cm3; (10)Molar Volume: 154.3 cm3; (11)Polarizability: 20.33×10-24 cm3; (12)Surface Tension: 38.1 dyne/cm; (13)Density: 1.71 g/cm3; (14)Flash Point: 131.1 °C; (15)Enthalpy of Vaporization: 48.71 kJ/mol; (16)Boiling Point: 269.4 °C at 760 mmHg; (17)Vapour Pressure: 0.012 mmHg at 25 °C.

Preparation: this chemical and 1,3-Dibromo-2,5-dimethyl-benzene can be prepared by Methyllithium and 2,4,6-Tribromo-toluene. This reaction will need solvent diethyl ether. The reaction time is 5 hours. The yield is about 30%.

3,5-Dibromo-1,2-dimethylbenzene and 1,3-Dibromo-2,5-dimethyl-benzene can be obtained by Methyllithium and 2,4,6-Tribromo-toluene

You can still convert the following datas into molecular structure:
(1)SMILES: Brc1cc(Br)cc(c1C)C
(2)InChI: InChI=1/C8H8Br2/c1-5-3-7(9)4-8(10)6(5)2/h3-4H,1-2H3
(3)InChIKey: MUOWYDXIKBTQHA-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C8H8Br2/c1-5-3-7(9)4-8(10)6(5)2/h3-4H,1-2H3
(5)Std. InChIKey: MUOWYDXIKBTQHA-UHFFFAOYSA-N