3-Chlorobenzaldehyde oxime

Base Information

• Chemical Name: 3-Chlorobenzaldehyde oxime
• CAS No.: 34158-71-9
• Molecular Formula: C7H6ClNO
• Molecular Weight: 155.584
• Hs Code.: 2928000090
• NSC Number: 122430
• Nikkaji Number: J119.241H
• Mol file: 34158-71-9.mol

Synonyms:92062-57-2;3-chlorobenzenecarbaldehyde oxime;3-Chlorobenzaldehyde oxime;34158-71-9;(NE)-N-[(3-chlorophenyl)methylidene]hydroxylamine;(E)-3-Chlorobenzaldehyde oxime;3-CHLOROBENZENECARBALDEHYDEOXIME;3-Chlorobenzaldoxime;Benzaldehyde, 3-chloro-, oxime;Benzaldehyde, m-chloro-, oxime, (E)-;Benzaldehyde, 3-chloro-, oxime, (E)-;NSC122430;syn-m-Chlorobenzaldoxime;(E)-N-[(3-chlorophenyl)methylidene]hydroxylamine;SCHEMBL758335;(Z)-3-Chlorobenzaldehyde oxime;Benzaldehyde, m-chloro-, oxime;(Z)-3-Chloro-benzaldehyde oxime;3-Chlorobenzaldehyde oxime, trans;PEGODJOFVRYPMO-WEVVVXLNSA-N;HMS1365C16;MFCD01070635;STK014099;AKOS003595852;NSC-122430;NCGC00331947-01;CS-0458006;(E)-1-(3-chlorophenyl)-N-hydroxymethanimine;5P-032;AB01326555-02;J-501961;3717-33-7

Chemical Property of 3-Chlorobenzaldehyde oxime

Chemical Property:

• Vapor Pressure: 0.0139mmHg at 25°C
• Melting Point: 72-74oC
• Boiling Point: 247.1°Cat760mmHg
• Flash Point: 103.2°C
• PSA: 32.59000
• Density: 1.21g/cm³
• LogP: 2.14810
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 155.0137915
• Heavy Atom Count: 10
• Complexity: 127

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)Cl)C=NO
• Isomeric SMILES: C1=CC(=CC(=C1)Cl)/C=N/O

Technology Process of 3-Chlorobenzaldehyde oxime

There total 17 articles about 3-Chlorobenzaldehyde 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: 100.0%

m-Chlorobenzaldehyde (587-04-2) → 3-chlorobenzaldehyde oxime (34158-71-9)

Guidance literature:

With pyridine; hydroxylamine hydrochloride; In ethanol; at 20 ℃; for 5h;

DOI:10.1021/jm3012239

Reference yield: 98.0%

m-Chlorobenzaldehyde (587-04-2) → (E)-3-chlorobenzaldehyde oxime (3717-33-7,34158-71-9,4006-79-5)

Guidance literature:

With hydroxylamine hydrochloride; triethylamine; In ethanol; water; at 20 ℃;

DOI:10.3390/molecules23102545

Reference yield: 97.0%

ethyl methyl ketone oxime (96-29-7) + m-Chlorobenzaldehyde (587-04-2) → (E)-3-chlorobenzaldehyde oxime (3717-33-7,34158-71-9,4006-79-5)

Guidance literature:

With perchloric acid; In water; at 23 ℃; for 24h; Reagent/catalyst; Inert atmosphere; Green chemistry;

DOI:10.1039/c6gc02156e

upstream raw materials:

m-Chlorobenzaldehyde

m-chlorobenzylamine

hydroxylamine hydrochloride

m-chlorobenzyl alcohol

Downstream raw materials:

methyl 3-chlorobenzoate

3-Chloro-benzaldehyde O-ethyl-oxime

[1-(3-Chloro-phenyl)-meth-(E)-ylideneaminooxy]-acetic acid ethyl ester

2-[1-(3-Chloro-phenyl)-meth-(E)-ylideneaminooxy]-propionic acid ethyl ester

Refernces

• 1、 Pan, Hongmei,Lu, Tong,Wu, Xuedan,Gu, Chengwen,Tao, Naili,Zhang, Biao,Wang, Ao,Chen, Guangmei,Zhang, Kehua,Cheng, Jie,Jin, Jie. "Design and synthesis of sinomenine isoxazole derivatives via 1,3-dipolar cycloaddition reaction". supporting information. p. 2360 - 2364. Retrieved 2019/11/11.
• 2、 Umm-E-Farwa,Ullah, Saeed,Khan, Maria Aqeel,Zafar, Humaira,Atia-tul-Wahab,Younus, Munisaa,Choudhary, M. Iqbal,Basha, Fatima Z.. "Dibenzazepine-linked isoxazoles: New and potent class of α-glucosidase inhibitors". supporting information. . Retrieved 2021/05/10.