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26829-89-0

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Basic Information
CAS No.: 26829-89-0
Name: 2,4-DIBROMO-3,6-DIMETHYLANILINE
Article Data: 7
Molecular Structure:
Molecular Structure of 26829-89-0 (2,4-DIBROMO-3,6-DIMETHYLANILINE)
Formula: C8H9Br2N
Molecular Weight: 278.974
Synonyms: 2,4-dibromo-3,6-dimethylaniline;Benzenamine, 2,4-dibromo-3,6-dimethyl-;
Density: 1.781 g/cm3
Melting Point: 65 °C
Boiling Point: 296 °C at 760 mmHg
Flash Point: 132.8 °C
Hazard Symbols: IrritantXi
PSA: 26.02000
LogP: 3.99180
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Specification

The Benzenamine,2,4-dibromo-3,6-dimethyl-, with the CAS registry number 26829-89-0, has the systamtic name of 2,4-dibromo-3,6-dimethylaniline. It belongs to the following product categories: Amines; Blocks; Bromides. And the molecular formula of the chemical is C8H9Br2N.

The characteristics of Benzenamine,2,4-dibromo-3,6-dimethyl- are as followings: (1)ACD/LogP: 4.18; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.18; (4)ACD/LogD (pH 7.4): 4.18; (5)ACD/BCF (pH 5.5): 886.3; (6)ACD/BCF (pH 7.4): 886.48; (7)ACD/KOC (pH 5.5): 4481.81; (8)ACD/KOC (pH 7.4): 4482.7; (9)#H bond acceptors: 1; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 3.24 Å2; (13)Index of Refraction: 1.627; (14)Molar Refractivity: 55.51 cm3; (15)Molar Volume: 156.6 cm3; (16)Polarizability: 22×10-24cm3; (17)Surface Tension: 46.6 dyne/cm; (18)Density: 1.781 g/cm3; (19)Flash Point: 132.8 °C; (20)Enthalpy of Vaporization: 53.57 kJ/mol; (21)Boiling Point: 296 °C at 760 mmHg; (22)Vapour Pressure: 0.00148 mmHg at 25°C. 

Uses of Benzenamine,2,4-dibromo-3,6-dimethyl-: It can be used to produce 1,3-dibromo-2,5-dimethyl-benzene. And the yield is about 75%.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Brc1c(c(Br)cc(c1N)C)C
(2)InChI: InChI=1/C8H9Br2N/c1-4-3-6(9)5(2)7(10)8(4)11/h3H,11H2,1-2H3
(3)InChIKey: NNARIZVVHGNNHI-UHFFFAOYAN