N-(2-chloro-5-nitrophenyl)benzamide

Base Information

• Chemical Name: N-(2-chloro-5-nitrophenyl)benzamide
• CAS No.: 205827-96-9
• Molecular Formula: C13H9ClN2O3
• Molecular Weight: 276.679
• Hs Code.: 2924299090
• DSSTox Substance ID: DTXSID20354693
• Wikidata: Q82133012
• Mol file: 205827-96-9.mol

Synonyms:N-(2-chloro-5-nitrophenyl)benzamide;205827-96-9;AR3668;Benzamide, N-(2-chloro-5-nitrophenyl)-;Oprea1_108826;SCHEMBL402139;DTXSID20354693;JJQSSZABUGAGPU-UHFFFAOYSA-N;MFCD01212006;STK038983;AKOS003276142;AS-45658;CS-0151386;A913154

Chemical Property of N-(2-chloro-5-nitrophenyl)benzamide

Chemical Property:

• Appearance/Colour: white
• Melting Point: 171-175
• Boiling Point: 330.4±32.0 °C(Predicted)
• PKA: 11.66±0.70(Predicted)
• PSA: 74.92000
• Density: 1.440±0.06 g/cm3(Predicted)
• LogP: 4.09670
• Storage Temp.: 2-8°C
• Solubility.: DMSO: 26 mg/mL, soluble
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 276.0301698
• Heavy Atom Count: 19
• Complexity: 339

Purity/Quality:

97% ^*data from raw suppliers

GW 9662 ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36-43
• Safety Statements: 26-36/37

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of N-(2-chloro-5-nitrophenyl)benzamide

There total 3 articles about N-(2-chloro-5-nitrophenyl)benzamide 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: 95.0%

H2NC6H3(Cl)NO2 (6283-25-6) + benzoyl chloride (98-88-4) → N-(2-chloro-5-nitro-phenyl)-benzamide (205827-96-9)

Guidance literature:

With pyridine; at 20 ℃; Inert atmosphere;

DOI:10.1021/acs.jmedchem.6b01163

Reference yield: 47.0%

Benzoylformic acid (611-73-4) + 1-chloro-2,4-dinitro-benzene (97-00-7) → N-(2-chloro-5-nitro-phenyl)-benzamide (205827-96-9)

Guidance literature:

With dipotassium peroxodisulfate; potassium carbonate; In water; acetonitrile; at 80 ℃; for 20h;

DOI:10.1021/acs.orglett.0c03666

Reference yield:

→ N-(2-chloro-5-nitro-phenyl)-benzamide (205827-96-9)

Guidance literature:

upstream raw materials:

H₂NC₆H₃(Cl)NO₂

benzoyl chloride

Benzoylformic acid

1-chloro-2,4-dinitro-benzene

Downstream raw materials:

2-phenyl-1,3-benzothiazol-5-amine

N-(3-benzamido-4-chlorophenyl)-2-chloro-4-(3,3-dioxido-1,3,4-oxathiazinan-4-yl)benzamide

N-(3-benzamido-4-chlorophenyl)-4-(3,3-dioxido-1,3,4-oxathiazinan-4-yl)-2-fluorobenzamide

N-(3-benzamido-4-chlorophenyl)-2-chloro-4-(3,3-dioxido-1,3,4-oxathiazinan-4-yl)benzamide