2-Nitroso-2-nitropropane

Base Information

• Chemical Name: 2-Nitroso-2-nitropropane
• CAS No.: 5275-46-7
• Molecular Formula: C3H6 N2 O3
• Molecular Weight: 118.092
• Hs Code.: 2904209090
• UNII: YQM4MVV5KF
• DSSTox Substance ID: DTXSID50200735
• Nikkaji Number: J8.829C
• Wikidata: Q83073901
• Mol file: 5275-46-7.mol

Synonyms:2-Nitroso-2-nitropropane;2-Nitro-2-nitrosopropane;Propane, 2-nitro-2-nitroso-;5275-46-7;CCRIS 5053;YQM4MVV5KF;BRN 1756194;Propylpseudonitrole;UNII-YQM4MVV5KF;2-Nitro-2-nitrosopropan;SCHEMBL3133755;DTXSID50200735;LS-120890

Chemical Property of 2-Nitroso-2-nitropropane

Chemical Property:

• Vapor Pressure: 7.51mmHg at 25°C
• Boiling Point: 136.1°Cat760mmHg
• Flash Point: 36.1°C
• PSA: 75.25000
• Density: 1.29g/cm³
• LogP: 1.28880
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 118.03784206
• Heavy Atom Count: 8
• Complexity: 114

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Nitrogen Compounds -> Other Nitrogen Compounds
• Canonical SMILES: CC(C)(N=O)[N+](=O)[O-]

Technology Process of 2-Nitroso-2-nitropropane

There total 14 articles about 2-Nitroso-2-nitropropane 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: 70.0%

2-nitropropane (79-46-9) → 2-nitro-2-nitrosopropane (5275-46-7)

Guidance literature:

2-nitropropane; With potassium hydroxide; In water; Cooling;

With sulfuric acid; sodium nitrite; In water; at -10 ℃; for 0.5h; Cooling with ice-salt; Darkness;

DOI:10.1021/jo900732b

Reference yield:

2-methyl-1-propenylbromide (3017-69-4) → 2-nitro-2-nitrosopropane (5275-46-7)

Guidance literature:

With dinitrogen tetraoxide; In diethyl ether;

Reference yield:

potassium salt of 2-nitropropane (28273-55-4) → 2-nitro-2-nitrosopropane (5275-46-7)

Guidance literature:

With nitrosonium perchlorate; In acetonitrile; at 25 ℃; Thermodynamic data; Inert atmosphere;

DOI:10.1021/jo900732b

upstream raw materials:

tetrachloromethane

2-nitropropane

acetone oxime

2-bromo-2-nitroso-propane

Downstream raw materials:

2,2-dinitropropane

acetone

acetone oxime

2-nitropropane

Refernces

• 1、 Li, Xin,Deng, Hui,Zhu, Xiao-Qing,Wang, Xiaoxiao,Liang, Hao,Cheng, Jin-Pei. "Establishment of the C-NO bond dissociation energy scale in solution and its application in analyzing the trend of NO transfer from C-nitroso compound to thiols". supporting information; experimental part. p. 4472 - 4478. Retrieved 2009/09/30.