3',4'-Dichloro-3-nitrosalicylanilide

Base Information

• Chemical Name: 3',4'-Dichloro-3-nitrosalicylanilide
• CAS No.: 29378-25-4
• Molecular Formula: C13H8 Cl2 N2 O4
• Molecular Weight: 0
• DSSTox Substance ID: DTXSID90951916
• Nikkaji Number: J48.313C
• Wikidata: Q82930378
• ChEMBL ID: CHEMBL3628900
• Mol file: 29378-25-4.mol

Synonyms:3',4'-Dichloro-3-nitrosalicylanilide;29378-25-4;BRN 2761537;Benzamide, N-(3,4-dichlorophenyl)-2-hydroxy-3-nitro-;Salicylanilide, 3',4'-dichloro-3-nitro-;AI3-51381;34DICHLORO3NITROSALICYLANILIDE;SCHEMBL7165179;CHEMBL3628900;DTXSID90951916;LS-144197;n-(3,4-dichlorophenyl)-2-hydroxy-3-nitro-benzamide;N-(3,4-Dichlorophenyl)-2-hydroxy-3-nitrobenzene-1-carboximidic acid

Chemical Property of 3',4'-Dichloro-3-nitrosalicylanilide

Chemical Property:

• Vapor Pressure: 1.89E-06mmHg at 25°C
• Boiling Point: 384.2°Cat760mmHg
• Flash Point: 186.1°C
• PSA: 95.15000
• Density: 1.615g/cm³
• LogP: 4.45570
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 325.9861121
• Heavy Atom Count: 21
• Complexity: 404

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C(=C1)[N+](=O)[O-])O)C(=O)NC2=CC(=C(C=C2)Cl)Cl

Technology Process of 3',4'-Dichloro-3-nitrosalicylanilide

There total 2 articles about 3',4'-Dichloro-3-nitrosalicylanilide 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: 73.0%

3-nitrosalicylic acid (85-38-1) + m,p-dichloroaniline (95-76-1) → 2-hydroxy-N-(3,4-dichlorophenyl)-3-nitrobenzamide (29378-25-4)

Guidance literature:

With phosphorus trichloride; Microwave irradiation; Reflux;

DOI:10.1016/j.bmc.2015.10.029

Reference yield:

→ 2-hydroxy-N-(3,4-dichlorophenyl)-3-nitrobenzamide (29378-25-4)

Guidance literature:

3-Nitro-salicylsaeure, 3,4-Dichlor-anilin, Chlorbenzol, PCl3, Δ;

DOI:10.1002/jps.2600501006

Reference yield:

2-hydroxy-N-(3,4-dichlorophenyl)-3-nitrobenzamide (29378-25-4) + chloroformic acid ethyl ester (541-41-3) → 3-(3,4-dichloro-phenyl)-8-nitro-benzo[e][1,3]oxazine-2,4-dione (92030-39-2)

Guidance literature:

With pyridine; In acetonitrile;

DOI:10.1021/jm00338a034

upstream raw materials:

3-nitrosalicylic acid

m,p-dichloroaniline

Downstream raw materials:

3-(3,4-dichloro-phenyl)-8-nitro-benzo[e][1,3]oxazine-2,4-dione

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