(Z)-4-chloro-3-nitrobenzaldehyde oxime

Base Information

• Chemical Name: (Z)-4-chloro-3-nitrobenzaldehyde oxime
• CAS No.: 66399-01-7
• Molecular Formula: C7H5ClN2O3
• Molecular Weight: 200.581
• Hs Code.: 2928000090
• European Community (EC) Number: 662-242-9
• Wikidata: Q82244338
• Mol file: 66399-01-7.mol

Synonyms:4-chloro-3-nitrobenzaldehyde oxime;(Z)-4-chloro-3-nitrobenzaldehyde oxime;SCHEMBL472314;(NZ)-N-[(4-chloro-3-nitrophenyl)methylidene]hydroxylamine;4-Chloro-3-nitro-benzaldehyde oxime;AKOS000427998;Benzaldehyde, 4-chloro-3-nitro-, oxime;BB 0246388

Chemical Property of (Z)-4-chloro-3-nitrobenzaldehyde oxime

Chemical Property:

• Vapor Pressure: 0.000123mmHg at 25°C
• Melting Point: 147-150 °C
• Refractive Index: 1.612
• Boiling Point: 321.483 °C at 760 mmHg
• Flash Point: 148.228 °C
• PSA: 78.41000
• Density: 1.504 g/cm³
• LogP: 2.57950
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 199.9988697
• Heavy Atom Count: 13
• Complexity: 216

Purity/Quality:

98%min ^*data from raw suppliers

4-chloro-3-nitrobenzaldehydeoxime ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1C=NO)[N+](=O)[O-])Cl
• Isomeric SMILES: C1=CC(=C(C=C1/C=N\O)[N+](=O)[O-])Cl

Technology Process of (Z)-4-chloro-3-nitrobenzaldehyde oxime

There total 3 articles about (Z)-4-chloro-3-nitrobenzaldehyde oxime 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: 56.0%

Nitroethane (79-24-3) + 4-chloro-3-nitro-benzaldehyde (16588-34-4) → 4-chloro-3-nitrobenzonitrile (939-80-0) + 2-chloro-5-hydroxyiminomethylnitrobenzene (66399-01-7) + 1-chloro-2-nitro-4-((E)-2-nitro-propenyl)-benzene (134538-49-1)

Guidance literature:

With ammonium acetate; In acetic acid; for 2h; under 760 Torr; Heating;

DOI:10.1007/BF00965433

Reference yield:

4-chloro-3-nitro-benzaldehyde (16588-34-4) → 2-chloro-5-hydroxyiminomethylnitrobenzene (66399-01-7)

Guidance literature:

With hydroxylamine; In pyridine; ethanol;

DOI:10.1016/S0960-894X(03)00080-5

Reference yield:

→ 2-chloro-5-hydroxyiminomethylnitrobenzene (66399-01-7)

Guidance literature:

aus entspr. Aldehyd, Hydroxylamin;

upstream raw materials:

Nitroethane

4-chloro-3-nitro-benzaldehyde

Downstream raw materials:

4-chloro-3-nitro-benzaldehyde

N-(5-(5-(3,5-dichlorophenyl)-4,5-dihydro-5-trifluoromethyl-3-isoxazolyl)-2-chloro-phenyl)-O-methyl-carbamate

N-(3-(5-(3,5-dichlorophenyl)-4,5-dihydro-5-trifluoromethyl-isoxazol-3-yl)-6-chloro-phenyl)-3,3,3-trifluoro-propanamide

Refernces

• 1、 Lam, Patrick Y. S.,Adams, Jessica J.,Clark, Charles G.,Calhoun, W. Jason,Luettgen, Joseph M.,Knabb, Robert M.,Wexler, Ruth R.. "Discovery of 3-amino-4-chlorophenyl P1 as a novel and potent benzamidine mimic via solid-phase synthesis of an isoxazoline library". . p. 1795 - 1799. Retrieved 2007/10/03.