3-Cyanophenylhydrazine hydrochloride

Base Information

• Chemical Name: 3-Cyanophenylhydrazine hydrochloride
• CAS No.: 17672-26-3
• Molecular Formula: C7H7N3
• Molecular Weight: 133.153
• Hs Code.: 2928000090
• European Community (EC) Number: 691-804-6
• DSSTox Substance ID: DTXSID80363382
• Wikidata: Q72458864
• Mol file: 17672-26-3.mol

Synonyms:3-hydrazinylbenzonitrile;3-Cyanophenylhydrazine HCl;3-Hydrazinobenzonitrile;3-Hydrazinobenzonitrile hydrochloride;

Chemical Property of 3-Cyanophenylhydrazine hydrochloride

Chemical Property:

• Appearance/Colour: White Crystals /Light yellow powder
• Vapor Pressure: 0.00105mmHg at 25°C
• Melting Point: 157-158 °C
• Boiling Point: 301.544 °C at 760 mmHg
• PKA: 4.48±0.10(Predicted)
• Flash Point: 136.169 °C
• PSA: 61.84000
• Density: 1.195 g/cm³
• LogP: 1.61718
• Storage Temp.: Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 133.063997236
• Heavy Atom Count: 10
• Complexity: 146

Purity/Quality:

99% ^*data from raw suppliers

3-Hydrazinobenzonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)NN)C#N
• Uses: 3-Hydrazinobenzonitrile Hydrochloride is used in the synthesis of hydrolase and lipase inhibitors which may be used in the therapeutic treatment of obesity.

Technology Process of 3-Cyanophenylhydrazine hydrochloride

There total 5 articles about 3-Cyanophenylhydrazine hydrochloride 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: 80.0%

m-cyanoaniline (2237-30-1) → 3-cyanophenyl hydrazine (17672-26-3)

Guidance literature:

m-cyanoaniline; With hydrogenchloride; sodium nitrite; In water; at 0 ℃; for 1h;

With hydrogenchloride; tin(ll) chloride; In water; at 20 ℃; for 1.5h;

DOI:10.1021/acs.orglett.5b03268

Reference yield: 73.0%

3-cyano-phenylhydrazine hydrochloride (2881-99-4) → 3-cyanophenyl hydrazine (17672-26-3)

Guidance literature:

With sodium hydrogencarbonate;

DOI:10.1016/j.bmcl.2010.06.073

Reference yield:

3-cyanophenyldiazonium chloride (25074-91-3) → 3-cyanophenyl hydrazine (17672-26-3)

Guidance literature:

3-cyanophenyldiazonium chloride; With hydrogenchloride; tin(ll) chloride; In water; at 0 ℃; for 2h;

In water; pH=9;

upstream raw materials:

m-cyanoaniline

3-cyanophenyldiazonium chloride

3-cyano-phenylhydrazine hydrochloride

3-cyanobromobenzene

Downstream raw materials:

2-(3-cyan-phenylhydrazono)-propionsaeure

2-(3-cyano-phenyl)-5-methyl-2H-pyrazole-3-carboxylic acid ethyl ester

2-(3-cyano-phenyl)-5-pyridin-3-yl-2H-pyrazole-3-carboxylic acid ethyl ester

5-amino-1-(3-cyanophenyl)-3-phenyl-1H-pyrazole