3-Methyl-2,4,6-tribromoaniline

Base Information

• Chemical Name: 3-Methyl-2,4,6-tribromoaniline
• CAS No.: 71642-16-5
• Molecular Formula: C7H6 Br3 N
• Molecular Weight: 343.843
• Hs Code.: 2921430090
• NSC Number: 86671
• DSSTox Substance ID: DTXSID30221887
• Nikkaji Number: J257.631G
• Wikidata: Q83099914
• Mol file: 71642-16-5.mol

Synonyms:3-Methyl-2,4,6-tribromoaniline;71642-16-5;2,4,6-tribromo-3-methylaniline;2,4,6-Tribromo-m-toluidine;3-Methyl-2,4,6-tribrom-anilin;NSC86671;NCIOpen2_009427;SCHEMBL4007556;DTXSID30221887;2,4,6-tribromo-3-methyl-aniline;MFCD00014768;NSC 86671;NSC-86671;AKOS003619038;2,4,6-Tribromo-3-methylaniline, 98+%;CS-0191955;FT-0609840;A837271

Chemical Property of 3-Methyl-2,4,6-tribromoaniline

Chemical Property:

• Vapor Pressure: 0.000475mmHg at 25°C
• Melting Point: 101-102°C
• Boiling Point: 314.1°C at 760 mmHg
• Flash Point: 143.8°C
• PSA: 26.02000
• Density: 2.196g/cm³
• LogP: 4.44590
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 342.80299
• Heavy Atom Count: 11
• Complexity: 142

Purity/Quality:

99% ^*data from raw suppliers

3-Methyl-2,4,6-tribromoaniline ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.
• Hazard Codes: R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(=C(C=C1Br)Br)N)Br

Technology Process of 3-Methyl-2,4,6-tribromoaniline

There total 10 articles about 3-Methyl-2,4,6-tribromoaniline 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: 99.6%

1-amino-3-methylbenzene (108-44-1) → 3-methyl-2,4,6-tribromoaniline (71642-16-5)

Guidance literature:

With hydrogenchloride; dihydrogen peroxide; sodium bromide; In water; at 15 ℃; for 2h;

DOI:10.1134/S1070427208080314

Reference yield: 3.0%

1-amino-3-methylbenzene (108-44-1) → amino-5-bromo-2-toluene (6933-10-4) + 2,4-dibromo-5-methylaniline (67643-51-0) + 2,4-dibromo-3-methylaniline (80948-78-3) + 3-methyl-2,4,6-tribromoaniline (71642-16-5)

Guidance literature:

With N-Bromosuccinimide; 2,2'-azobis(isobutyronitrile); In chloroform; at 20 ℃; for 0.5h; Solvent; Temperature;

Reference yield:

3-Methylacetanilide (537-92-8) + bromine (7726-95-6) → amino-5-bromo-2-toluene (6933-10-4) + 2,4-dibromo-3-methylaniline (80948-78-3) + 3-methyl-2,4,6-tribromoaniline (71642-16-5)

Guidance literature:

man nach Verseifung des Reaktionsproduktes; Produkt₅: 2.6-Dibrom-3-amino-toluol;

upstream raw materials:

2,3,4,6-tetrabromo-5-nitro-toluene

1-amino-3-methylbenzene

sulfuric acid

hydrogenchloride

Downstream raw materials:

2,4,6-tribromotoluene

2,3,4,6-tetrabromotoluene

2,4,6-tribromo-3-methyl-benzonitrile

1-(2,4,6-tribromo-phenyl)-ethanol

Refernces

• 1、 Bagmanov. "Effect of structural factors and solvent nature in bromination of anilines". experimental part. p. 1570 - 1576. Retrieved 2011/06/20.
• 2、 Wassmundt, Frederick W.,Kiesman, William F.. "Efficient Catalysis of Hydrodediazoniations in Dimethylformamide". . p. 1713 - 1719. Retrieved 2007/10/02.