2,4-Dichloro-N'-hydroxybenzimidamide

Base Information

• Chemical Name: 2,4-Dichloro-N'-hydroxybenzimidamide
• CAS No.: 22179-80-2
• Molecular Formula: C7H6Cl2N2O
• Molecular Weight: 205.043
• Hs Code.: 2925290090
• European Community (EC) Number: 681-826-4
• DSSTox Substance ID: DTXSID701327646
• Mol file: 22179-80-2.mol

Synonyms:22179-80-2;2,4-Dichlorobenzamidoxime;2,4-Dichloro-N'-hydroxybenzimidamide;2,4-dichloro-N'-hydroxybenzenecarboximidamide;2,4-Dichloro-N-hydroxybenzimidamide;2,4-Dichloro-N-hydroxybenzenecarboximidamide;2,4-Dichloro-N'-Hydroxybenzene-1-Carboximidamide;MLS000834990;SCHEMBL101867;DTXSID701327646;2,4-dichloro-n-hydroxy-benzamidine;AMY24252;XAA17980;MFCD00178762;2,4-Dichlorobenzamidoxime, AldrichCPR;AKOS009312797;AC-6355;AS-40338;SMR000461606;CS-0101079;A26865;Benzenecarboximidamide,2,4-dichloro-N-hydroxy-;EN300-1599753;A815999;(Z)-2,4-dichloro-N'-hydroxybenzene-1-carboximidamide;2,4-bis(chloranyl)-N'-oxidanyl-benzenecarboximidamide

Chemical Property of 2,4-Dichloro-N'-hydroxybenzimidamide

Chemical Property:

• Vapor Pressure: 4.43E-06mmHg at 25°C
• Melting Point: 156-158℃
• Refractive Index: 1.622
• Boiling Point: 368.5 °C at 760 mmHg
• Flash Point: 176.7 °C
• PSA: 58.61000
• Density: 1.52 g/cm³
• LogP: 2.78820
• Storage Temp.: 2-8°C
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 203.9857182
• Heavy Atom Count: 12
• Complexity: 186

Purity/Quality:

99% ^*data from raw suppliers

2,4-DICHLORO-N'-HYDROXYBENZENECARBOXIMIDAMIDE 95 ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 41
• Safety Statements: 26-39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1Cl)Cl)C(=NO)N
• Isomeric SMILES: C1=CC(=C(C=C1Cl)Cl)/C(=N/O)/N

Technology Process of 2,4-Dichloro-N'-hydroxybenzimidamide

There total 6 articles about 2,4-Dichloro-N'-hydroxybenzimidamide 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: 98.0%

→ 2,4-dichloro-N-hydroxybenzenecarboximidamide (22179-80-2)

Guidance literature:

Reference yield: 84.2%

2,4-dichlorobenzylnitrile (6574-98-7) → 2,4-dichloro-N-hydroxybenzenecarboximidamide (22179-80-2)

Guidance literature:

With hydroxylamine hydrochloride; sodium carbonate; In ethanol; water; at 70 ℃; for 8h;

DOI:10.1002/cbdv.201800599

Reference yield: 83.9%

2,4-dichlorobenzylnitrile (6574-98-7) → 2,4-dichloro-N'-hydroxybenzamidine (22179-80-2)

Guidance literature:

With hydroxylamine hydrochloride; potassium carbonate; In ethanol; water; at 95 ℃; for 12h; Inert atmosphere;

upstream raw materials:

2,4-dichlorobenzylnitrile

2,4-dichlorobenzaldoxime

Downstream raw materials:

5-chloromethyl-3-(2,4-dichloro-phenyl)-2⁽⁴⁾,5-dihydro-[1,2,4]oxadiazole

3-(2,4-dichloro-phenyl)-5-methyl-2⁽⁴⁾,5-dihydro-[1,2,4]oxadiazole

3-(2,4-dichlorophenyl)-5-(furan-2-yl)-1,2,4-oxadiazole

5-chloromethyl-3-(2,4-dichloro-phenyl)-[1,2,4]oxadiazole

Refernces

• 1、 -. "HETEROCYCLIC COMPOUNDS". Paragraph 0831-0832. . Retrieved 2021/04/02.
• 2、 Cao, Xudong,Yao, Zhongyuan,Dou, Fei,Zhang, Yifang,Qiu, Yinli,Zhao, Song,Xu, Xiangqing,Liu, Xin,Liu, Bi-Feng,Chen, Yin,Zhang, Guisen. "Synthesis and Biological Evaluation of Sigma-1 (σ1) Receptor Ligands Based on Phenyl-1,2,4-oxadiazole Derivatives". . . Retrieved 2019/02/26.