2-Chloro-3-nitrobenzonitrile

Base Information

• Chemical Name: 2-Chloro-3-nitrobenzonitrile
• CAS No.: 34662-24-3
• Molecular Formula: C7H3ClN2O2
• Molecular Weight: 182.566
• Hs Code.: 2926909090
• Mol file: 34662-24-3.mol

Synonyms:2-CHLORO-3-NITROBENZONITRILE;2-Chloro-3-cyanonitrobenzene

Chemical Property of 2-Chloro-3-nitrobenzonitrile

Chemical Property:

• Melting Point: 97-101℃
• PSA: 69.61000
• Density: 1.47
• LogP: 2.64308
• Storage Temp.: Sealed in dry,Room Temperature

Purity/Quality:

99% ^*data from raw suppliers

2-Chloro-3-nitrobenzonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 2-Chloro-3-nitrobenzonitrile

There total 4 articles about 2-Chloro-3-nitrobenzonitrile 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:

2-chloro-3-nitro-benzoyl chloride (34128-16-0) → 3-nitro-2-chlorobenzonitrile (34662-24-3)

Guidance literature:

Multi-step reaction with 2 steps

1: aq. NH₃ / CH₂Cl₂ / 0.17 h

2: PPSA / CH₂Cl₂ / 16 h / Heating

With ammonium hydroxide; In dichloromethane; 1: Substitution / 2: Dehydration;

DOI:10.1021/jm9903949

Reference yield:

2-chloro-3-nitrobezoic acid (3970-35-2) → 3-nitro-2-chlorobenzonitrile (34662-24-3)

Guidance literature:

Multi-step reaction with 3 steps

1: oxalyl chloride; DMF / CH₂Cl₂ / 3 h / 25 °C

2: aq. NH₃ / CH₂Cl₂ / 0.17 h

3: PPSA / CH₂Cl₂ / 16 h / Heating

With ammonium hydroxide; oxalyl dichloride; N,N-dimethyl-formamide; In dichloromethane; 1: Chlorination / 2: Substitution / 3: Dehydration;

DOI:10.1021/jm9903949

Reference yield:

sodium cyanide (143-33-9,25596-52-5) → 3-nitro-2-chlorobenzonitrile (34662-24-3)

Guidance literature:

With CuCN;

upstream raw materials:

sodium cyanide

2-chloro-3-nitro-benzoyl chloride

2-chloro-3-nitrobezoic acid

Downstream raw materials:

3-amino-2-chlorobenzonitrile

3-cyano-benzene-1,2-diamine

tert-butyl 2-(2-cyano-6-nitrophenyl)-3-cyclopropyl-3-oxopropanoate

C₇H₉ClN₂

Refernces

• 1、 Showalter, H. D. Hollis,Bridges, Alexander J.,Zhou, Hairong,Sercel, Anthony D.,McMichael, Amy,Fry, David W.. "Tyrosine kinase inhibitors. 16. 6,5,6-Tricyclic benzothieno[3,2-d]pyrimidines and pyrimido[5,4-b]- and -[4,5- b]indoles as potent inhibitors of the epidermal growth factor receptor tyrosine kinase". . p. 5464 - 5474. Retrieved 2007/10/03.