1-Methyl-3-nitroguanidine

Base Information

• Chemical Name: 1-Methyl-3-nitroguanidine
• CAS No.: 4245-76-5
• Molecular Formula: C2H6N4O2
• Molecular Weight: 118.095
• Hs Code.: Oral rat LD50: >1000 mg/kg
• European Community (EC) Number: 433-400-2,610-029-6
• UNII: 7T934ZID4E
• DSSTox Substance ID: DTXSID70195230
• Wikidata: Q17578672
• Mol file: 4245-76-5.mol

Synonyms:1-methyl-3-nitroguanidine;N-methyl-N'-nitroguanidine;N-MNG

Chemical Property of 1-Methyl-3-nitroguanidine

Chemical Property:

• Appearance/Colour: white crystalline powder
• Melting Point: 153-155 °C
• Refractive Index: 1.6000 (estimate)
• Boiling Point: 250.7 °C at 760 mmHg
• PKA: 3.53±0.50(Predicted)
• Flash Point: 105.4 °C
• PSA: 93.73000
• Density: 1.57 g/cm³
• LogP: 0.32660
• Storage Temp.: 2-8°C(protect from light)
• Solubility.: very faint turbidity in hot Water
• Water Solubility.: 14g/L at 25℃
• XLogP3: -0.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 118.04907545
• Heavy Atom Count: 8
• Complexity: 114

Purity/Quality:

99% ^*data from raw suppliers

1-Methyl-3-nitroguanidine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn, F
• Hazard Codes: F,Xn
• Statements: 11-20/21/22-36/37/38
• Safety Statements: 16-26-36/37/39-48

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CN=C(N)N[N+](=O)[O-]
• Uses: N-Methyl N-Nitroguanidine induces stomach adenocinoma in rats.

Technology Process of 1-Methyl-3-nitroguanidine

There total 30 articles about 1-Methyl-3-nitroguanidine 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: 97.0%

S-methyl-N-nitroisothiourea (2986-25-6) + methylamine (74-89-5) → N-Methyl-N'-nitroguanidine (4245-76-5)

Guidance literature:

In ethanol; at 80 ℃; for 3h;

DOI:10.1002/1526-4998(200102)57:2<165::AID-PS289>3.0.CO;2-G

Reference yield: 91.2%

2-nitroguanidine (556-88-7) + methylamine (74-89-5) → N-Methyl-N'-nitroguanidine (4245-76-5)

Guidance literature:

With sulfuric acid; In water; at 45 ℃; for 1.5h; Time;

Reference yield: 88.6%

bromocyane (506-68-3) + methylamine (74-89-5) → N-methyl-N'-nitroguanidine (4245-76-5)

Guidance literature:

bromocyane; methylamine; In tetrahydrofuran; at -10 - -5 ℃; for 1h;

With ammonium nitrate; In tetrahydrofuran; at 130 ℃; for 8h;

With sulfuric acid; at -5 - 0 ℃; for 0.5h;

upstream raw materials:

nitroguanidine

methylamine hydrochloride

methyl-guanidine; sulfate

methylamine

Downstream raw materials:

1,3,5-trimethyl-[1,3,5]triazinane-2,4,6-triylidenetriamine

N,N'-dimethyl-guanidine

N-Methylurea

N-methyl-N'-nitrosoguanidine

Refernces

• 1、 Zhang, Qinghua,He, Chunlin,Yin, Ping,Shreeve, Jean'Ne M.. "Insensitive nitrogen-rich materials incorporating the nitroguanidyl functionality". . p. 212 - 217. Retrieved 2014.
• 2、 -. "Thiamethoxam production method and extractant". Paragraph 0088-0089; 0094-0095. . Retrieved 2020/05/01.
• 3、 -. "Preparation method of methyl nitroguanidine". Paragraph 0021-0023; 0025. . Retrieved 2017/12/27.