2-Bromo-4,5-dichlorobenzonitrile

Base Information

• Chemical Name: 2-Bromo-4,5-dichlorobenzonitrile
• CAS No.: 93361-96-7
• Molecular Formula: C7H2BrCl2N
• Molecular Weight: 250.91
• DSSTox Substance ID: DTXSID401302788
• Mol file: 93361-96-7.mol

Synonyms:2-bromo-4,5-dichlorobenzonitrile;93361-96-7;SCHEMBL20241879;DTXSID401302788;AKOS005215799

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

Chemical Property:

• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 248.87477
• Heavy Atom Count: 11
• Complexity: 188

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

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

There total 5 articles about 2-Bromo-4,5-dichlorobenzonitrile 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: 59.0%

2-bromo-4,5-dichloroaniline (1940-30-3) + copper(l) cyanide → 2-bromo-4,5-dichlorobenzonitrile (93361-96-7)

Guidance literature:

2-bromo-4,5-dichloroaniline; With hydrogenchloride; sodium nitrite; In water; at 0 - 4 ℃; for 0.5h;

copper(l) cyanide; With sodium cyanide; In water; at 5 - 20 ℃; for 4h;

Reference yield:

1-bromo-4,5-dichloro-2-nitrobenzene (93361-94-5) → 2-bromo-4,5-dichlorobenzonitrile (93361-96-7)

Guidance literature:

Multi-step reaction with 2 steps

1: 67 percent / NH₄Cl,Fe / ethanol; H₂O / 20 h / Heating

2: NaNO₂, H₂SO₄, CuCl, KCN, Na₂CO₃ / 1)H₂SO₄,NaNO₂,CH₃COOH 10 deg C, 30 min 2) KCN,Na₂CO₃ in water 2h,20 deg C 3)3h,85 deg C

With potassium cyanide; sulfuric acid; iron; sodium carbonate; ammonium chloride; copper(l) chloride; sodium nitrite; In ethanol; water;

DOI:10.1135/cccc19840992

Reference yield:

4-bromo-1,2-dichlorobenzene (18282-59-2) → 2-bromo-4,5-dichlorobenzonitrile (93361-96-7)

Guidance literature:

Multi-step reaction with 3 steps

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

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

3: NaNO₂, H₂SO₄, CuCl, KCN, Na₂CO₃ / 1)H₂SO₄,NaNO₂,CH₃COOH 10 deg C, 30 min 2) KCN,Na₂CO₃ in water 2h,20 deg C 3)3h,85 deg C

With potassium cyanide; sulfuric acid; nitric acid; iron; sodium carbonate; ammonium chloride; copper(l) chloride; sodium nitrite; In ethanol; water;

DOI:10.1135/cccc19840992

upstream raw materials:

2-bromo-4,5-dichloroaniline

4-bromo-1,2-dichlorobenzene

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

1,2-dichloro-benzene

Downstream raw materials:

4,5-dichloro-2-(4-chlorophenylthio)benzoic acid

<4,5-dichloro-2-(phenylthio)phenyl>acetic acid

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

4,5-dichloro-2-(phenylthio)benzoic acid