N-Butyl-2-chloro-5-nitrobenzamide

Base Information

• Chemical Name: N-Butyl-2-chloro-5-nitrobenzamide
• CAS No.: 68505-92-0
• Molecular Formula: C11H13 Cl N2 O3
• Molecular Weight: 256.689
• European Community (EC) Number: 270-927-5
• DSSTox Substance ID: DTXSID30988160
• Nikkaji Number: J326.659A
• Wikidata: Q82976620
• Mol file: 68505-92-0.mol

Synonyms:N-Butyl-2-chloro-5-nitrobenzamide;68505-92-0;EINECS 270-927-5;DTXSID30988160;AKOS000161179;N-Butyl-2-chloro-5-nitrobenzene-1-carboximidic acid

Chemical Property of N-Butyl-2-chloro-5-nitrobenzamide

Chemical Property:

• Vapor Pressure: 6.67E-06mmHg at 25°C
• Melting Point: 136 °C
• Boiling Point: 377.6°C at 760 mmHg
• PKA: 13.26±0.46(Predicted)
• Flash Point: 182.2°C
• PSA: 78.41000
• Density: 1.263g/cm³
• LogP: 3.87610
• XLogP3: 3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 256.0614700
• Heavy Atom Count: 17
• Complexity: 280

Purity/Quality:

99% ^*data from raw suppliers

N-BUTYL-2-CHLORO-5-NITROBENZAMIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of N-Butyl-2-chloro-5-nitrobenzamide

There total 5 articles about N-Butyl-2-chloro-5-nitrobenzamide 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: 83.0%

2-chloro-5-nitrobenzoylchloride (25784-91-2) + N-butylamine (109-73-9,85404-21-3) → N-butyl-2-chloro-5-nitro-benzamide (68505-92-0)

Guidance literature:

With sodium hydrogencarbonate; In dichloromethane; water; Ambient temperature;

Reference yield: 77.0%

2-chloro-5-nitrobenzoic acid (2516-96-3) + N-butylamine (109-73-9,85404-21-3) → N-butyl-2-chloro-5-nitro-benzamide (68505-92-0)

Guidance literature:

2-chloro-5-nitrobenzoic acid; With benzotriazol-1-ol; dicyclohexyl-carbodiimide; In N,N-dimethyl-formamide; at 0 ℃; for 0.5h;

N-butylamine; In N,N-dimethyl-formamide; at 0 - 20 ℃;

DOI:10.1016/S0223-5234(01)01251-X

Reference yield:

C13H7ClN4O4 + n-butylamine hydrochloride (3858-78-4) → N-butyl-2-chloro-5-nitro-benzamide (68505-92-0)

Guidance literature:

With triethylamine; In N,N-dimethyl-formamide; at 0 - 20 ℃;

DOI:10.1016/j.bmc.2012.06.026

upstream raw materials:

2-chloro-5-nitrobenzoylchloride

N-butylamine

2-chloro-5-nitrobenzoic acid

n-butylamine hydrochloride

Downstream raw materials:

N-Butyl-2-butylamino-5-nitro-benzamide

2-Benzyloxy-N-butyl-5-nitro-benzamide

2-Butoxy-N-butyl-5-nitro-benzamide

N-butyl-2-p-trifluoromethylphenoxy-5-nitrobenzamide