4-Chlorobenzaldehyde oxime

Base Information

• Chemical Name: 4-Chlorobenzaldehyde oxime
• CAS No.: 3717-24-6
• Molecular Formula: C7H6 Cl N O
• Molecular Weight: 155.584
• European Community (EC) Number: 636-813-8
• NSC Number: 68354,65231,74
• Nikkaji Number: J119.239F
• Wikidata: Q82227883
• ChEMBL ID: CHEMBL135560
• Mol file: 3717-24-6.mol

Synonyms:4-Chlorobenzaldehyde oxime;3848-36-0;4-chlorobenzenecarbaldehyde oxime;p-Chlorobenzaldoxime;p-Chlorobenzaldehyde oxime;(NE)-N-[(4-chlorophenyl)methylidene]hydroxylamine;3717-24-6;Benzaldehyde, p-chloro-, oxime;4-Chlorobenzaldoxime;MFCD00016412;(E)-4-Chlorobenzaldehyde oxime;Benzaldehyde, 4-chloro-, oxime;p-Chloro-syn-benzaldoxime;Benzaldehyde, p-chloro-, oxime, (E)-;Benzaldehyde, 4-chloro-, oxime, (E)-;4-Chlorbenzaldoxime;4-Chlorobenzaloxime;syn-p-Chlorobenzaldoxime;(E)-N-[(4-chlorophenyl)methylidene]hydroxylamine;N-[(4-chlorophenyl)methylidene]hydroxylamine;(E)-4-Chlorobenzaldoxime;(E)-1-(4-chlorophenyl)-N-hydroxymethanimine;e-p-chlorobenzaldehyde oxime;NSC74;(E)-4-Chlorobenzaldehydeoxime;CHEMBL135560;NSC-74;SCHEMBL1505539;(Z)-4-Chlorobenzaldehyde oxime;(Z)-4-Chloro-benzaldehyde oxime;QKWBTCRVPQHOMT-WEVVVXLNSA-N;HMS1752C18;NSC65231;NSC68354;NSC-65231;NSC-68354;STK887675;AKOS000304360;CS-W016247;NCGC00343097-01;10L-355S;EN300-15681;AB00626803-03;A824171;J-501979;Z49568332

Chemical Property of 4-Chlorobenzaldehyde oxime

Chemical Property:

• Vapor Pressure: 0.0314mmHg at 25°C
• Melting Point: 142-143 °C
• Boiling Point: 233.2°Cat760mmHg
• PKA: 10.45±0.10(Predicted)
• Flash Point: 94.8°C
• PSA: 32.59000
• Density: 1.21g/cm³
• LogP: 2.14810
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 155.0137915
• Heavy Atom Count: 10
• Complexity: 119

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C=NO)Cl
• Isomeric SMILES: C1=CC(=CC=C1/C=N/O)Cl

Technology Process of 4-Chlorobenzaldehyde oxime

There total 16 articles about 4-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: 97.0%

→ 4-chlorobenzaldehyde oxime (3717-24-6)

Guidance literature:

With iron(II) perchlorate hexahydrate; ethyl acetohydroximate; In dichloromethane; at 20 ℃; for 24h; Reagent/catalyst; Solvent; Inert atmosphere;

Reference yield: 95.0%

4-chlorobenzaldehyde (104-88-1) → 4-chlorobenzaldehyde oxime (3717-24-6)

Guidance literature:

With pyridine; hydroxylamine hydrochloride; In ethanol; at 80 ℃; for 4h;

Reference yield: 93.0%

4-chlorobenzylidenemalonodinitrile (1867-38-5) → 4-chlorobenzaldehyde oxime (3717-24-6)

Guidance literature:

With hydroxylamine hydrochloride; sodium hydroxide; In water; at 20 ℃; for 4h; pH=12; stereoselective reaction;

DOI:10.2478/s11696-012-0137-3

upstream raw materials:

diethyl (2R,3R)-tartrate

(Z)-p-chlorobenzaldehyde oxime

dithio-4-chlorobenzoic acid

(E)-4-chlorobenzaldehyde-O-ethoxycarbonyloxime

Downstream raw materials:

(Z)-p-chlorobenzaldehyde oxime

3,5-bis(4-chlorophenyl)-1,2,4-oxadiazole

p-chlorobenzonitrolic acid

4-chloro-benzaldehyde-(O-benzoyl oxime )

Refernces

• 1、 Kinfe, Henok H.,Mabasa, Jackie,Mabasa, Tommy F.,Makhubela, Banothile C. E.,Simelane, Mthokozisi,Vatsha, Banele. "Acetic Anhydride-Acetic Acid as a New Dehydrating Agent of Aldoximes for the Preparation of Nitriles: Preparation of 2-Cyanoglycals". supporting information. p. 991 - 996. Retrieved 2020/06/10.
• 2、 Irwin, Lauren C.,Allen, Meredith A.,Vriesen, Matthew R.,Kerr, Michael A.. "Annulation of Oxime-Ether Tethered Donor–Acceptor Cyclopropanes". supporting information. p. 171 - 175. Retrieved 2019/12/24.