1-(3-nitrophenyl)piperazine Hydrochloride

Base Information

• Chemical Name: 1-(3-nitrophenyl)piperazine Hydrochloride
• CAS No.: 294210-79-0
• Molecular Formula: C₁₀H₁₃N₃O₂*(x)ClH
• Molecular Weight: 207.23
• European Community (EC) Number: 673-894-9
• DSSTox Substance ID: DTXSID10375059
• Mol file: 294210-79-0.mol

Synonyms:1-(3-nitrophenyl)piperazine Hydrochloride;294210-79-0;1-(3-Nitrophenyl)-piperazine hydrochloride;1-(3-NITROPHENYL)PIPERAZINE HCL;1-(3-nitrophenyl)piperazine;hydrochloride;Piperazine, 1-(3-nitrophenyl)-, monohydrochloride;Piperazine, 1-(3-nitrophenyl)-, hydrochloride (1:1);SCHEMBL1364478;DTXSID10375059;VFTSNUZGFRTULB-UHFFFAOYSA-N;AB4032;MFCD06409254;AKOS016008000;FS-4207;1-(3-nitro-phenyl)-piperazine hydrochloride;FT-0644360;1-(3-nitrophenyl)-piperazine, hydro chloride;J-017508

Chemical Property of 1-(3-nitrophenyl)piperazine Hydrochloride

Chemical Property:

• Vapor Pressure: 6.74E-06mmHg at 25°C
• Melting Point: >230oC
• Boiling Point: 377.5oC at 760 mmHg
• Flash Point: 182.1oC
• PSA: 61.09000
• LogP: 1.92140
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 243.0774544
• Heavy Atom Count: 16
• Complexity: 223

Purity/Quality:

97% ^*data from raw suppliers

1-(3-nitrophenyl)piperazinehydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(CCN1)C2=CC(=CC=C2)[N+](=O)[O-].Cl

Technology Process of 1-(3-nitrophenyl)piperazine Hydrochloride

There total 3 articles about 1-(3-nitrophenyl)piperazine 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: 85.0%

piperazine (110-85-0) + 3-fluoro-1-nitrobenzene (402-67-5) → 1-(3-nitrophenyl)piperazine monohydrochloride (294210-79-0)

Guidance literature:

piperazine; 3-fluoro-1-nitrobenzene; In 1,2-dimethoxyethane; for 48h; Heating / reflux;

With hydrogenchloride; In ethanol; ethyl acetate;

Reference yield: 76.0%

bis-(2-chloroethyl)amine hydrochloride (821-48-7) + 3-nitro-aniline (99-09-2) → 1-(3-nitrophenyl)piperazine monohydrochloride (294210-79-0)

Guidance literature:

bis-(2-chloroethyl)amine hydrochloride; 3-nitro-aniline; With potassium carbonate; In chlorobenzene; for 24h; Heating;

With hydrogenchloride; In acetone;

Reference yield: 68.0%

bis-(2-chloroethyl)amine hydrochloride (821-48-7) + 3-nitro-aniline (99-09-2) → 1-(3-nitro-phenyl)-piperazine hydrochloride (294210-79-0)

Guidance literature:

In diethylene glycol dimethyl ether; at 150 ℃; Inert atmosphere;

DOI:10.1016/j.ejmech.2020.112257

upstream raw materials:

bis-(2-chloroethyl)amine hydrochloride

3-nitro-aniline

piperazine

3-fluoro-1-nitrobenzene

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