1-(3-Nitro-1H-pyrazol-1-YL)acetone

Base Information

• Chemical Name: 1-(3-Nitro-1H-pyrazol-1-YL)acetone
• CAS No.: 131394-08-6
• Molecular Formula: C₆H₇N₃O₃
• Molecular Weight: 169.14
• DSSTox Substance ID: DTXSID60351085
• Wikidata: Q82127207
• Mol file: 131394-08-6.mol

Synonyms:131394-08-6;1-(3-NITRO-1H-PYRAZOL-1-YL)ACETONE;1-(3-nitropyrazol-1-yl)propan-2-one;1-(3-nitro-1H-pyrazol-1-yl)propan-2-one;AKOS B021108;N-acetonylnitropyrazole;SCHEMBL12633753;DTXSID60351085;MFCD00459729;STK751454;AKOS000310629;BS-35667;CS-0324562;SR-01000511646;SR-01000511646-1

Chemical Property of 1-(3-Nitro-1H-pyrazol-1-YL)acetone

Chemical Property:

• Vapor Pressure: 0.00036mmHg at 25°C
• Boiling Point: 318.5°C at 760 mmHg
• Flash Point: 146.4°C
• PSA: 80.71000
• Density: 1.43g/cm³
• LogP: 0.90350
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 169.04874109
• Heavy Atom Count: 12
• Complexity: 201

Purity/Quality:

99% ^*data from raw suppliers

1-(3-Nitro-1H-pyrazol-1-yl)acetone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)CN1C=CC(=N1)[N+](=O)[O-]
• Uses: 1-(3-nitro-1H-pyrazol-1-yl)acetone is a useful reactant in the preparation of nitroazole-?based energetic materials.

Technology Process of 1-(3-Nitro-1H-pyrazol-1-YL)acetone

There total 1 articles about 1-(3-Nitro-1H-pyrazol-1-YL)acetone 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: 50.0%

3-nitro-1H-pyrazole (26621-44-3) + 1-bromoacetone (598-31-2) → 1-acetonyl-3-nitropyrazole (131394-08-6)

Guidance literature:

With potassium hydroxide; In water; acetone; at 20 ℃; for 20h;

DOI:10.1007/BF00961497

upstream raw materials:

3-nitro-1H-pyrazole

1-bromoacetone