4-Nitrobenzaldoxime

Base Information

• Chemical Name: 4-Nitrobenzaldoxime
• CAS No.: 1129-37-9
• Molecular Formula: C7H6N2O3
• Molecular Weight: 166.136
• Hs Code.: 29280000
• European Community (EC) Number: 214-445-5
• UNII: SDD4LR8AM2
• Nikkaji Number: J119.245K
• ChEMBL ID: CHEMBL2420345
• Mol file: 1129-37-9.mol

Synonyms:4-Nitrobenzaldoxime;4-Nitrobenzaldehyde oxime;1129-37-9;p-Nitrobenzaldehyde oxime;Benzaldehyde, 4-nitro-, oxime;3717-19-9;p-Nitrobenzaldoxime;Benzaldehyde, p-nitro-, oxime;NSC 68355;EINECS 214-445-5;(NE)-N-[(4-nitrophenyl)methylidene]hydroxylamine;(E)-4-Nitrobenzaldehyde oxime;AI3-61281;(Z)-4-Nitrobenzaldehyde oxime;MFCD00007377;Benzaldehyde, p-nitro-, oxime, (E)-;Benzaldehyde, p-nitro-, oxime, (Z)-;Benzaldehyde, 4-nitro-, oxime, (E)-;Benzaldehyde, 4-nitro-, oxime, (Z)-;4-Nitrobenzaldoxim;4-nitrobenzaldehydeoxime;(E)-4-Nitrobenzaldoxime;(E/Z)-4-Nitrobenzaldoxime;SCHEMBL189629;CHEMBL2420345;WTLPAVBACRIHHC-VMPITWQZSA-N;STL303734;AKOS000304449;FS-3925;NCGC00337620-01;LS-25130;4-Nitrobenzaldehyde oxime, >=97.0% (N);(E)-N-hydroxy-1-(4-nitrophenyl)methanimine;CS-0207291;AB01328957-02;A802704;Z49568323

Chemical Property of 4-Nitrobenzaldoxime

Chemical Property:

• Appearance/Colour: light yellow crystalline powder
• Vapor Pressure: 0.00039mmHg at 25°C
• Melting Point: 126-130 °C(lit.)
• Refractive Index: 1.589
• Boiling Point: 304.2 °C at 760 mmHg
• PKA: 9.97±0.10(Predicted)
• Flash Point: 137.8 °C
• PSA: 78.41000
• Density: 1.33 g/cm³
• LogP: 1.92610
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 166.03784206
• Heavy Atom Count: 12
• Complexity: 180

Purity/Quality:

99%, ^*data from raw suppliers

4-Nitrobenzaldoxime 98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T
• Hazard Codes: T,Xi
• Statements: 25-36/37/38-20
• Safety Statements: 36/37/39-45-26-22

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

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

Technology Process of 4-Nitrobenzaldoxime

There total 60 articles about 4-Nitrobenzaldoxime 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%

4-nitrobenzyl chloride (619-73-8) → 4-nitrobenzaldehyde oxime (1129-37-9,174848-02-3,20707-69-1)

Guidance literature:

With [CuZn(benzoate)3(bpy)2]PF₆; hydroxylamine hydrochloride; dihydrogen peroxide; In water; at 70 ℃; for 4h;

DOI:10.1016/j.jorganchem.2018.10.001

Reference yield: 91.0%

C20H28N2O5SSi (1028432-11-2) → 4-nitrobenzaldehyde oxime (1129-37-9,174848-02-3,20707-69-1)

Guidance literature:

With cesium fluoride; In acetonitrile; at 60 ℃; for 2h; Inert atmosphere;

DOI:10.15227/orgsyn.089.0480

Reference yield: 90.0%

p-nitrobenzylamine (7409-30-5) → 4-nitrobenzaldehyde oxime (1129-37-9,174848-02-3,20707-69-1)

Guidance literature:

With dihydrogen peroxide; methyltrioxorhenium(VII); In tert-butyl alcohol; at 20 ℃; for 0.5h;

DOI:10.1246/bcsj.70.877

upstream raw materials:

piperidine

O-(2,4-dinitrophenyl)-p-nitrobenzaldoxime

2-(4-nitrophenyl)-1,3-dioxolane

Nitroethane

Downstream raw materials:

p-Nitrobenzaldehydoxim-acetoacetat

4-Nitro-benzaldehyd-

4-Nitro-benzaldehyde O-(2,4-dinitro-phenyl)-oxime

N-Hydroxy-4-nitro-thiobenzimidic acid 2-diethylamino-ethyl ester

Refernces

4- AND 5-HYDROXYLAMINOTHIAZOLIDINE-2-THIONES. REACTION WITH 4-NITROBENZALDEHYDE

10.1007/BF00480846

The research focuses on the synthesis and study of the reactivities of hydroxylaminothia(imida)zolidine-2-thiones(ones) and their reactions with 4-nitrobenzaldehyde. The purpose of the study was to investigate the formation of stable nitrones and the potential rearrangement of these compounds under different reaction conditions. The researchers found that 5-hydroxylaminothiazolidine-2-thiones react with the aldehyde to form stable nitrones, while isomeric 4-hydroxylaminothiazolidine-2-thiones and 4-hydroxylaminoimidazolidin-2-one can undergo rearrangement to E- or Z-O-substituted 4-nitrobenzaldoximes, depending on the structure and reaction conditions. Key chemicals used in the process include 4-nitrobenzaldehyde, various hydroxylaminothiazolidine-2-thiones and hydroxylaminoimidazolidin-2-ones, 4-toluenesulfonic acid (TSA) as a catalyst, and sodium borohydride for reduction reactions. The study concluded that nitrones V and VI, unlike isomeric compounds I and II, undergo hydrolysis to corresponding 4-hydroxy derivatives and E-4-nitrobenzaldoxime under acid-catalysis conditions, and that the rearrangement of these compounds can lead to different oxime structures based on steric hindrance and other factors.

Post a RFQ

Cas No.:

Product Name:

Quantity:

Please select Metric Ton KG G Pound L ML

Email:

Company name:

Valid Period:

Detailed Requirements:

• Sample
• MOQ
• GMP
• FDA
• Price
  FOB CIF CFR EXW
• Urgent purchase

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

Remove

Submit

1

What can I do for you?
Get Best Price

Get Best Price for 1129-37-9 4-Nitrobenzaldoxime

Send

Send

Metric Ton KG G Pound L ML

Send

Send