2,4-Dibromo-3,6-dimethylaniline

Base Information

• Chemical Name: 2,4-Dibromo-3,6-dimethylaniline
• CAS No.: 26829-89-0
• Molecular Formula: C8H9Br2N
• Molecular Weight: 278.974
• Hs Code.: 2921430090
• DSSTox Substance ID: DTXSID40408364
• Nikkaji Number: J257.635J
• Wikidata: Q82213830
• Mol file: 26829-89-0.mol

Synonyms:2,4-dibromo-3,6-dimethylaniline;26829-89-0;C8H9Br2N;DTXSID40408364;BBA82989;MFCD08689499;AKOS015835112;CS-0194479;E90149

Chemical Property of 2,4-Dibromo-3,6-dimethylaniline

Chemical Property:

• Vapor Pressure: 0.00148mmHg at 25°C
• Melting Point: 65 °C
• Refractive Index: 1.627
• Boiling Point: 296 °C at 760 mmHg
• PKA: 1.81±0.10(Predicted)
• Flash Point: 132.8 °C
• PSA: 26.02000
• Density: 1.781 g/cm³
• LogP: 3.99180
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 278.90813
• Heavy Atom Count: 11
• Complexity: 140

Purity/Quality:

99% ^*data from raw suppliers

2,4-Dibromo-3,6-dimethylaniline ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C(=C1N)Br)C)Br

Technology Process of 2,4-Dibromo-3,6-dimethylaniline

There total 14 articles about 2,4-Dibromo-3,6-dimethylaniline which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 94.0%

2,5-Dimethylaniline (95-78-3) → 2,4-dibromo-3,6-dimethylaniline (26829-89-0)

Guidance literature:

With bromine; In ethanol; water; at 20 ℃; for 6h;

DOI:10.1021/jo990721k

Reference yield:

N-(2,5-dimethylphenyl)hydroxylamine (3096-64-8) + hydrogen bromide (10035-10-6,12258-64-9) → 2,4-dibromo-3,6-dimethylaniline (26829-89-0) + 2,5-Dimethylaniline (95-78-3) + 4-bromo-2,5-dimethylaniline (30273-40-6)

Guidance literature:

Reference yield:

→ 2,4-dibromo-3,6-dimethylaniline (26829-89-0)

Guidance literature:

With bromine bromate; water;

upstream raw materials:

2,5-Dimethylaniline

N-(2,5-dimethylphenyl)hydroxylamine

2-bromo-3,6-dimethyl-aniline

bromine

Downstream raw materials:

1,2-bis-(3'-bromomethyl-2',5'-dimethylphenyl)ethane

1,2-bis-(3'-hydroxymethyl-2',5'-dimethylphenyl)ethane

1,2-bis-(3'-cyano-2',5'-dimethylphenyl)ethane

1-bromo-2,5-dimethyl-3-hydroxymethylbenzene

Refernces

• 1、 Mitchell, Reginald H.,Zhang, Limin. "Synthesis, reactions, and structural and NMR features of [2.2]metacyclophane monoenes and their tricarbonylchromium and cyclopentadienyliron(+) complexes". . p. 7140 - 7152. Retrieved 2007/10/03.