(4-Chlorophenyl)guanidine mononitrate

Base Information

• Chemical Name: (4-Chlorophenyl)guanidine mononitrate
• CAS No.: 38647-83-5
• Molecular Formula: C7H9ClN4O3
• Molecular Weight: 232.626
• Hs Code.: 2925290090
• European Community (EC) Number: 254-059-4
• DSSTox Substance ID: DTXSID80191960
• Mol file: 38647-83-5.mol

Synonyms:38647-83-5;(4-Chlorophenyl)guanidine mononitrate;2-(4-chlorophenyl)guanidine nitrate;EINECS 254-059-4;2-(4-chlorophenyl)guanidine;nitric acid;N''-(4-Chlorophenyl)guanidine nitrate;4-Chlorophenylguanidinium nitrate;N-(4-Chloro-phenyl)-guanidine nitrate;1-(4-Chlorophenyl)guanidine nitrate;SCHEMBL2544082;DTXSID80191960;XDIUTUZPPZXWMN-UHFFFAOYSA-N;MFCD09702433;AKOS015996620;AKOS027257538;CS-10283;CS-0452014;N''-(4-chlorophenyl)guanidine;NS00058893

Chemical Property of (4-Chlorophenyl)guanidine mononitrate

Chemical Property:

• Vapor Pressure: 3.58E-06mmHg at 25°C
• Melting Point: 142-143 °C
• Boiling Point: 371.4°Cat760mmHg
• Flash Point: 178.4°C
• PSA: 127.95000
• Density: g/cm³
• LogP: 2.69390
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 232.0363179
• Heavy Atom Count: 15
• Complexity: 171

Purity/Quality:

99%, ^*data from raw suppliers

4-Chlorophenylguanidinium nitrate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1N=C(N)N)Cl.[N+](=O)(O)[O-]

Technology Process of (4-Chlorophenyl)guanidine mononitrate

There total 1 articles about (4-Chlorophenyl)guanidine mononitrate 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: 63.0%

CYANAMID (420-04-2) + 4-chloro-aniline (106-47-8) → N-(4-chloro-phenyl)-guanidine nitrate (38647-83-5)

Guidance literature:

With nitric acid; In ethanol; water; for 18h; Reflux;

DOI:10.3390/molecules26061611

Reference yield: 73.0%

2-(dimethylaminomethylene)cyclohexane-1,3-dione (85302-07-4) + N-(4-chloro-phenyl)-guanidine nitrate (38647-83-5) → 2-((4-chlorophenyl)amino)-7,8-dihydroquinazolin-5(6H)-one (1383718-49-7)

Guidance literature:

With triethylamine; In ethanol; Reflux;

DOI:10.1016/j.bmcl.2013.06.049

Reference yield: 66.0%

1-(2,5-dichloro-thiophen-3-yl)-3-dimethylamino-propenone + N-(4-chloro-phenyl)-guanidine nitrate (38647-83-5) → (4-Chloro-phenyl)-{4-(2,5-dichloro-thiophen-3-yl)-pyrimidin-2-yl}-amine

Guidance literature:

With sodium hydroxide; In 2-methyl-propan-1-ol;

upstream raw materials:

CYANAMID

4-chloro-aniline

Downstream raw materials:

C₁₄H₁₃ClN₄S

4-{4-[2-(4-chloro-phenylamino)-pyrimidin-4-yl]-benzenesulfonyl}-piperazine-1-carboxylic acid tert-butyl ester

[4-(4-Chloro-phenylamino)-2-phenylamino-thiazol-5-yl]-phenyl-methanone

N-(4-chloro-phenyl)-6-methyl-[1,3,5]triazine-2,4-diamine

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