CID 5473908

Base Information

• Chemical Name: CID 5473908
• CAS No.: 4245-77-6
• Molecular Formula: C3H7N5O3
• Molecular Weight: 161.12
• Hs Code.: 2925290090
• Mol file: 4245-77-6.mol

Synonyms:C3-H7-N5-O3

Chemical Property of CID 5473908

Chemical Property:

• Vapor Pressure: 0.00296mmHg at 25°C
• Melting Point: 118-120oC (dec.)(lit.)
• Refractive Index: 1.8000 (estimate)
• Boiling Point: 284.5°C at 760 mmHg
• Flash Point: 125.9°C
• PSA: 114.37000
• Density: 1.61g/cm³
• LogP: 0.71960
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 161.05488910
• Heavy Atom Count: 11
• Complexity: 184

Purity/Quality:

99% ^*data from raw suppliers

N-ETHYL-N'-NITRO-N-NITROSOGUANIDINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F,T
• Hazard Codes: F,T
• Statements: 45-46-11-23/24/25
• Safety Statements: 53-16-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN(C(=N[N+](=O)[O-])N)N=O
• Isomeric SMILES: CCN(/C(=N\[N+](=O)[O-])/N)N=O
• Uses: N-Ethyl-N''-nitro-N-nitrosoguanidine is a carcinogen that causes cellular damage.

Technology Process of CID 5473908

There total 3 articles about CID 5473908 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:

N-ethyl-N'-nitro-guanidine (39197-62-1) → N-ethyl-N'-nitro-N-nitroso-guanidine (4245-77-6)

Guidance literature:

With nitric acid; sodium nitrite; at 10 ℃;

DOI:10.1021/ja01174a019

Reference yield:

N-ethyl-N'-nitro-guanidine (39197-62-1) → N-ethyl-N'-nitro-N-nitroso-guanidine (4245-77-6)

Guidance literature:

at 10 ℃;

DOI:10.1021/ja01174a019

Reference yield:

→ N-ethyl-N'-nitro-N-nitroso-guanidine (4245-77-6)

Guidance literature:

Guanidin I, HNO3, NaNO2;

upstream raw materials:

N-ethyl-N'-nitro-guanidine

Downstream raw materials:

Diazoethan

N-(4-methoxy-phenyl)-N'-nitro-guanidine

N-benzyl-N'-nitro-guanidine

N-cyclohexyl-N'-nitro-guanidine

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