3-Chloro-4-hydrazinobenzonitrile

Base Information

• Chemical Name: 3-Chloro-4-hydrazinobenzonitrile
• CAS No.: 254880-25-6
• Molecular Formula: C₇H₆ClN₃
• Molecular Weight: 167.598
• Hs Code.: 2928000090
• DSSTox Substance ID: DTXSID80383868
• Wikidata: Q82175670
• Mol file: 254880-25-6.mol

Synonyms:3-Chloro-4-hydrazinobenzonitrile;254880-25-6;3-chloro-4-hydrazinylbenzonitrile;2-chloro-4-cyanophenylhydrazine;SCHEMBL1132796;DTXSID80383868;SJFYEHDTFWHIBF-UHFFFAOYSA-N;MFCD01571093;AKOS009157352;AM82843;MEPRYLCAINEHYDROCHLORIDE(200MG);PS-4621;CS-0323856

Chemical Property of 3-Chloro-4-hydrazinobenzonitrile

Chemical Property:

• Vapor Pressure: 0.000939mmHg at 25°C
• Melting Point: 127 °C
• Refractive Index: 1.626
• Boiling Point: 303.3°Cat760mmHg
• PKA: 3.51±0.27(Predicted)
• Flash Point: 137.2°C
• PSA: 61.84000
• Density: 1.36g/cm³
• LogP: 2.27058
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 167.0250249
• Heavy Atom Count: 11
• Complexity: 174

Purity/Quality:

98%min ^*data from raw suppliers

3-Chloro-4-hydrazinobenzonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1C#N)Cl)NN

Technology Process of 3-Chloro-4-hydrazinobenzonitrile

There total 2 articles about 3-Chloro-4-hydrazinobenzonitrile 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: 25.0%

→ 3-chloro-4-hydrazinylbenzonitrile (254880-25-6)

Guidance literature:

Reference yield:

3-chloro-4-fluorobenzonitrile (117482-84-5) → 3-chloro-4-hydrazinylbenzonitrile (254880-25-6)

Guidance literature:

With hydrazine hydrate; In ethanol; at 80 ℃; for 4h;

DOI:10.1021/jm100505n

Reference yield:

3-chloro-4-hydrazinylbenzonitrile (254880-25-6) → 3-chloro-4-hydrazinylbenzonitrile hydrochloride (1188476-47-2)

Guidance literature:

With hydrogenchloride; In diethyl ether;

DOI:10.1021/jm100505n

upstream raw materials:

3-chloro-4-fluorobenzonitrile

Downstream raw materials:

3-chloro-4-hydrazinylbenzonitrile hydrochloride

Refernces

• 1、 -. "TETRAHYDROCARBAZOLE DERIVATIVES USEFUL AS ANDROGEN RECEPTOR MODULATORS". Page/Page column 112. . Retrieved 2010/11/25.