2-Bromo-4,5-dichloroaniline

Base Information

• Chemical Name: 2-Bromo-4,5-dichloroaniline
• CAS No.: 1940-30-3
• Molecular Formula: C6H4BrCl2N
• Molecular Weight: 240.914
• DSSTox Substance ID: DTXSID40524311
• Wikidata: Q82391081
• Mol file: 1940-30-3.mol

Synonyms:2-Bromo-4,5-dichloroaniline;1940-30-3;2-BROMO-4,5-DICHLOROBENZENAMINE;Benzenamine, 2-bromo-4,5-dichloro-;6-bromo-3,4-dichloroaniline;SCHEMBL3342238;DTXSID40524311;BAA94030;MFCD00672938;AKOS005216705;BS-31950;CS-0192815;EN300-270114;Y11302;Z1269141352

Chemical Property of 2-Bromo-4,5-dichloroaniline

Chemical Property:

• PSA: 26.02000
• LogP: 3.91930
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 238.89042
• Heavy Atom Count: 10
• Complexity: 122

Purity/Quality:

98%,99%, ^*data from raw suppliers

2-bromo-4,5-dichlorobenzenamine 95 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C(=CC(=C1Cl)Cl)Br)N

Technology Process of 2-Bromo-4,5-dichloroaniline

There total 4 articles about 2-Bromo-4,5-dichloroaniline 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: 88.0%

1-bromo-4,5-dichloro-2-nitrobenzene (93361-94-5) → 2-bromo-4,5-dichloroaniline (1940-30-3)

Guidance literature:

With iron; In ethanol; acetic acid; at 105 ℃; for 1.5h; Inert atmosphere;

DOI:10.1021/acs.jmedchem.7b01292

Reference yield:

4-bromo-1,2-dichlorobenzene (18282-59-2) → 2-bromo-4,5-dichloroaniline (1940-30-3)

Guidance literature:

Multi-step reaction with 2 steps

1: 99percentHNO₃+H₂SO₄ / 3 h / 40 - 45 °C

2: 67 percent / NH₄Cl,Fe / ethanol; H₂O / 20 h / Heating

With nitric acid; iron; ammonium chloride; In ethanol; water;

DOI:10.1135/cccc19840992

Reference yield:

1,2-dichloro-benzene (95-50-1) → 2-bromo-4,5-dichloroaniline (1940-30-3)

Guidance literature:

Multi-step reaction with 3 steps

1: 80 percent / Br₂, Fe / 4.5 h / 110 °C

2: 99percentHNO₃+H₂SO₄ / 3 h / 40 - 45 °C

3: 67 percent / NH₄Cl,Fe / ethanol; H₂O / 20 h / Heating

With bromine; nitric acid; iron; ammonium chloride; In ethanol; water;

DOI:10.1135/cccc19840992

upstream raw materials:

1-bromo-4,5-dichloro-2-nitrobenzene

4-bromo-1,2-dichlorobenzene

1,2-dichloro-benzene

Downstream raw materials:

2-bromo-4,5-dichlorobenzonitrile

1-bromo-2,4,5-trichlorobenzene

2-bromo-4,5-dichlorobenzoic acid

4,5-dichloro-2-(phenylthio)benzyl alcohol