(E)-N-Hydroxybenzimidoyl chloride

Base Information

• Chemical Name: (E)-N-Hydroxybenzimidoyl chloride
• CAS No.: 698-16-8
• Molecular Formula: C7H6 Cl N O
• Molecular Weight: 155.584
• Hs Code.: 2925290090
• European Community (EC) Number: 672-353-4
• Nikkaji Number: J60.280I
• Mol file: 698-16-8.mol

Synonyms:alpha-Chlorobenzaldoxime;81745-44-0;(E)-N-Hydroxybenzimidoyl chloride;N-hydroxybenzenecarboximidoyl chloride;(E)-N-hydroxybenzenecarboximidoyl chloride;A-Chlorobenzaldoxime;Phenyl chloro ketone oxime;SCHEMBL404865;(E)-N-Hydroxybenzimidoylchloride;GYHKODORJRRYBU-CLFYSBASSA-N;MFCD02183500;AS-45818;BP-11126;(Z)-N-Hydroxy-benzenecarboximidoyl chloride;CS-0269703;A916183;A1-10786

Chemical Property of (E)-N-Hydroxybenzimidoyl chloride

Chemical Property:

• Vapor Pressure: 0.00241mmHg at 25°C
• Melting Point: 48-52°C
• Refractive Index: 1.55
• Boiling Point: 275.8oC at 760 mmHg
• PKA: 10.51±0.70(Predicted)
• Flash Point: 120.6oC
• PSA: 32.59000
• Density: 1.21g/cm3
• LogP: 2.06120
• Storage Temp.: 2-8°C
• 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: 130

Purity/Quality:

98%,99%, ^*data from raw suppliers

α-Chlorobenzaldoxime ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of (E)-N-Hydroxybenzimidoyl chloride

There total 26 articles about (E)-N-Hydroxybenzimidoyl 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: 99.0%

Benzaldoxime (932-90-1) → benzohydroximoyl chloride (698-16-8)

Guidance literature:

With N-chloro-succinimide; In DMF (N,N-dimethyl-formamide); at 40 ℃; for 1h;

Reference yield: 98.0%

syn-benzaldehyde oxime (932-90-1,622-31-1,140461-24-1,140461-25-2,622-32-2) → benzohydroximoyl chloride (698-16-8)

Guidance literature:

With N-chloro-succinimide; In N,N-dimethyl-formamide; at 20 ℃;

Reference yield: 90.0%

ethanol (64-17-5) + O-chlorosulfinylbenzohydroximoyl chloride (93394-08-2) → diethyl sulphite (623-81-4) + benzohydroximoyl chloride (698-16-8)

Guidance literature:

for 2h;

DOI:10.1246/bcsj.57.2011

upstream raw materials:

syn-benzaldehyde oxime

(Z)-benzaldehyde oxime

aci-nitromethyl-benzene

benzoyl chloride

Downstream raw materials:

2-(1-piperidyl)benzaldoxime

1-benzohydroximoyl-pyridinium; chloride

ethyl 5-methyl-3-phenylisoxazole-4-carboxylate

O-benzoylbenzenehydroximidoyl chloride

Refernces

• 1、 Kara, Yesim S.,Y?ld?z, Berna. "Synthesis and substituent effect study on 13C NMR chemical shifts of 4-(substitue-phenyl)-6-methyl-3-phenyl-4H-1,2,4-oxadiazin-5(6H)-one". . . Retrieved 2021/11/16.
• 2、 Aarjane, Mohammed,Slassi, Siham,Tazi, Bouchra,Amine, Amina. "Synthesis and biological evaluation of novel isoxazole derivatives from acridone". . . Retrieved 2020/12/07.