n-(4-Nitrophenyl)benzenecarboximidoyl chloride

Base Information

• Chemical Name: n-(4-Nitrophenyl)benzenecarboximidoyl chloride
• CAS No.: 34918-79-1
• Molecular Formula: C13H9 Cl N2 O2
• Molecular Weight: 260.68
• NSC Number: 159439
• DSSTox Substance ID: DTXSID00303629
• Nikkaji Number: J450.157H
• Mol file: 34918-79-1.mol

Synonyms:34918-79-1;n-(4-nitrophenyl)benzenecarboximidoyl chloride;NSC159439;N-(4-Nitrophenyl)benzimidoyl chloride;SCHEMBL11897674;DTXSID00303629;N-(p-nitrophenyl)benzimidoyl chloride;NSC-159439

Chemical Property of n-(4-Nitrophenyl)benzenecarboximidoyl chloride

Chemical Property:

• Vapor Pressure: 9.04E-07mmHg at 25°C
• Boiling Point: 416.7°Cat760mmHg
• Flash Point: 205.8°C
• Density: 1.27g/cm³
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 260.0352552
• Heavy Atom Count: 18
• Complexity: 313

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of n-(4-Nitrophenyl)benzenecarboximidoyl chloride

There total 4 articles about n-(4-Nitrophenyl)benzenecarboximidoyl chloride 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: 86.0%

p-nitrobenzanilide (3393-96-2) → N-(4-nitro-phenyl)-benzimidoyl chloride (34918-79-1)

Guidance literature:

With phosphorus pentachloride; In toluene; for 12h; Inert atmosphere; Reflux;

DOI:10.1021/ja510985v

Reference yield:

benzoyl chloride (98-88-4) → N-(4-nitro-phenyl)-benzimidoyl chloride (34918-79-1)

Guidance literature:

Multi-step reaction with 2 steps

1: triethylamine / ethyl acetate / 20 °C

2: phosphorus pentachloride / toluene / 4 h / Reflux

With phosphorus pentachloride; triethylamine; In ethyl acetate; toluene;

DOI:10.1021/jm201463v

Reference yield:

4-nitro-aniline (100-01-6,104810-17-5) → N-(4-nitro-phenyl)-benzimidoyl chloride (34918-79-1)

Guidance literature:

Multi-step reaction with 2 steps

1: triethylamine / ethyl acetate / 20 °C

2: phosphorus pentachloride / toluene / 4 h / Reflux

With phosphorus pentachloride; triethylamine; In ethyl acetate; toluene;

DOI:10.1021/jm201463v

upstream raw materials:

p-nitrobenzanilide

benzoyl chloride

4-nitro-aniline

Downstream raw materials:

N,N'-di-p-nitrophenylbenzamidine

N,N-dimethyl-N'-(4-nitro-phenyl)-benzamidine

N,N-dimethyl-4-[4-(4-nitro-phenyl)-5-phenyl-1H-[1,2,4]triazol-3-yl]-aniline

N-(4-nitro-phenyl)-dibenzamide