1-(3-Nitropyrazol-1-yl)propan-2-one
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Basic information
- CAS
131394-08-6- Standard SMILES
CC(=O)Cn1ccc([N+](=O)[O-])n1- InChIKey
RIBGYLUDUASCIU-UHFFFAOYSA-N- Molecular formula
- C6H7N3O3
- Average molar mass
- 169.14 g/mol
- Monoisotopic mass
- 169.04874109
Names & identifiers
- Preferred name
- 1-(3-Nitropyrazol-1-yl)propan-2-one
- IUPAC
- 1-(3-nitropyrazol-1-yl)propan-2-one
- English name
- AKOS B021108
- Molecular formula
- C6H7N3O3
- Molecular weight
- 169.14
Names & synonyms
131394-08-61-(3-nitropyrazol-1-yl)propan-2-oneDTXSID60351085RefChem:224580DTXCID003021521-(3-NITRO-1H-PYRAZOL-1-YL)ACETONE1-(3-nitro-1H-pyrazol-1-yl)propan-2-oneMFCD00459729N-acetonylnitropyrazole1-(3-nitropyrazolyl)acetoneSCHEMBL12633753STK751454
Show more names
AKOS B021108ART-CHEM-BB B021108CHEMBRDG-BB 53048171-(3-NITRO-PYRAZOL-1-YL)-PROPAN-2-ONE1-(3-nitro-1H-pyrazol-1-yl)acetone(SALTDATA: FREE)
AKOS000310629BS-35667ST4017681CS-03245622-Propanone, 1-(3-nitro-1H-pyrazol-1-yl)-AG-205/11956775F314027SR-01000511646
Database identifiers
- CAS
131394-08-6- PubChem CID
- 690267
- DTXSID
DTXSID60351085
Properties
Computed structural propertiesFilling in
- XLogP
- 0.2
- Topological polar surface area
- 80.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 201
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
Uses1-(3-nitro-1H-pyrazol-1-yl)acetone is a useful reactant in the preparation of nitroazole-based energetic materials.
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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