(1E)-N-hydroxy-3-nitrobenzenecarboximidoyl chloride

Base Information

• Chemical Name: (1E)-N-hydroxy-3-nitrobenzenecarboximidoyl chloride
• CAS No.: 33512-94-6
• Molecular Formula: C7H5ClN2O3
• Molecular Weight: 200.581
• Hs Code.: 2925290090
• European Community (EC) Number: 672-359-7
• Nikkaji Number: J507.559I
• Mol file: 33512-94-6.mol

Synonyms:33512-94-6;alpha-Chloro-3-nitrobenzaldoxime;N-Hydroxy-3-nitrobenzimidoyl chloride;(Z)-N-hydroxy-3-nitrobenzene-1-carbonimidoyl chloride;a-Chloro-3-nitrobenzaldoxime;(1E)-N-hydroxy-3-nitrobenzenecarboximidoyl chloride;SCHEMBL4218702;MFCD02183502;Chloro[3-nitrophenyl]formaldehyde oxime;C58178

Chemical Property of (1E)-N-hydroxy-3-nitrobenzenecarboximidoyl chloride

Chemical Property:

• Vapor Pressure: 4.87E-06mmHg at 25°C
• Melting Point: 93-95 °C
• Refractive Index: 1.612
• Boiling Point: 367.2 °C at 760 mmHg
• PKA: 9.98±0.70(Predicted)
• Flash Point: 175.9 °C
• PSA: 78.41000
• Density: 1.5 g/cm³
• LogP: 2.49260
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 199.9988697
• Heavy Atom Count: 13
• Complexity: 226

Purity/Quality:

98.5% ^*data from raw suppliers

α-Chloro-3-nitrobenzaldoxime ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)[N+](=O)[O-])C(=NO)Cl
• Isomeric SMILES: C1=CC(=CC(=C1)[N+](=O)[O-])/C(=N\O)/Cl

Technology Process of (1E)-N-hydroxy-3-nitrobenzenecarboximidoyl chloride

There total 11 articles about (1E)-N-hydroxy-3-nitrobenzenecarboximidoyl 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: 100.0%

→ m-nitrobenzhydroxamoyl chloride (33512-94-6)

Guidance literature:

Reference yield: 99.0%

3-nitrobenzaldoxime (3431-62-7,20747-39-1) → m-nitrobenzhydroxamoyl chloride (33512-94-6)

Guidance literature:

With hydrogenchloride; potassium peroxomonosulfate; In N,N-dimethyl-formamide; for 8h; Ambient temperature;

DOI:10.1021/jo00050a054

Reference yield:

E-3-nitrobenzaldoxime (3717-29-1,20747-39-1) → m-nitrobenzhydroxamoyl chloride (33512-94-6)

Guidance literature:

With diethyl ether; nitrosylchloride;

upstream raw materials:

3-nitrobenzaldoxime

E-3-nitrobenzaldoxime

3-nitrobenzaldoxime

m-nitrobenzamide oxime

Downstream raw materials:

1-[hydroxyimino-(3-nitro-phenyl)-methyl]-piperidine

3-nitro-N-phenyl-benzamide oxime

m-nitrobenzamide oxime

3,4-bis(3-nitrophenyl)furoxan

Refernces

• 1、 Gaikwad, Nikhil Baliram,Afroz, Pathan,Ahmad, Mohammad Naiyaz,Kaul, Grace,Shukla, Manjulika,Nanduri, Srinivas,Dasgupta, Arunava,Chopra, Sidharth,Yaddanapudi, Venkata Madhavi. "Design, synthesis, in vitro and in silico evaluation of new 3-phenyl-4,5-dihydroisoxazole-5-carboxamides active against drug-resistant mycobacterium tuberculosis". . . Retrieved 2020/11/24.
• 2、 D'Ascenzio, Melissa,Secci, Daniela,Carradori, Simone,Zara, Susi,Guglielmi, Paolo,Cirilli, Roberto,Pierini, Marco,Poli, Giulio,Tuccinardi, Tiziano,Angeli, Andrea,Supuran, Claudiu T.. "1,3-Dipolar Cycloaddition, HPLC Enantioseparation, and Docking Studies of Saccharin/Isoxazole and Saccharin/Isoxazoline Derivatives as Selective Carbonic Anhydrase IX and XII Inhibitors". . p. 2470 - 2488. Retrieved 2020/03/31.