4,6-Diaminopyrimidine-2-sulfinic acid

Base Information

• Chemical Name: 4,6-Diaminopyrimidine-2-sulfinic acid
• CAS No.: 40070-06-2
• Molecular Formula: C4H6 N4 O2 S
• Molecular Weight: 174.183
• European Community (EC) Number: 637-043-5
• NSC Number: 54047
• DSSTox Substance ID: DTXSID20288085
• Nikkaji Number: J3.567.883B
• Wikidata: Q82024361
• Mol file: 40070-06-2.mol

Synonyms:4,6-diaminopyrimidine-2-sulfinic acid;40070-06-2;NSC54047;SCHEMBL8720016;DTXSID20288085;VNUSATOXJILSOJ-UHFFFAOYSA-N;NSC-54047;2-Pyrimidinesulfinic acid,6-diamino-;AKOS022505177;4,6 diaminopyrimidine-2-sulphinic acid

Chemical Property of 4,6-Diaminopyrimidine-2-sulfinic acid

Chemical Property:

• Vapor Pressure: 1.04E-21mmHg at 25°C
• Boiling Point: 719.2°C at 760 mmHg
• Flash Point: 388.8°C
• Density: 1.92g/cm³
• XLogP3: -1
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 1
• Exact Mass: 174.02114662
• Heavy Atom Count: 11
• Complexity: 156

Purity/Quality:

98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=C(N=C(N=C1N)S(=O)O)N

Technology Process of 4,6-Diaminopyrimidine-2-sulfinic acid

There total 2 articles about 4,6-Diaminopyrimidine-2-sulfinic acid 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: 100.0%

4,6-diamino-2-mercaptopyrimidine (1004-39-3) → 4,6-diaminopyrimidine-2-sulfinic acid (40070-06-2)

Guidance literature:

With dihydrogen peroxide; sodium hydroxide; at -10 ℃; for 0.333333h; Temperature;

Reference yield:

4,6-diaminopyrimidine-2(1H)-thione (1004-39-3) → 4,6-diaminopyrimidine-2-sulfinic acid (40070-06-2)

Guidance literature:

With sodium hydroxide; dihydrogen peroxide;

Reference yield: 96.0%

4,6-diaminopyrimidine-2-sulfinic acid (40070-06-2) → 4,6-diaminopyrimidine hydrochloride (5468-67-7,79364-63-9)

Guidance literature:

With hydrogenchloride; In water; for 0.5h;

DOI:10.1080/15257770903054241

upstream raw materials:

4,6-diaminopyrimidine-2(1H)-thione

4,6-diamino-2-mercaptopyrimidine

Downstream raw materials:

4,6-diaminopyrimidine hydrochloride