5-methyl-4-nitro-2,3-dihydro-1H-pyrazol-3-one
Basic information
- CAS
61885-21-0- Standard SMILES
Cc1[nH][nH]c(=O)c1[N+](=O)[O-]- InChIKey
KUWHDICGEHGNFM-UHFFFAOYSA-N- Molecular formula
- C4H5N3O3
- Average molar mass
- 143.1 g/mol
- Monoisotopic mass
- 143.03309103
Names & identifiers
- Preferred name
- 5-methyl-4-nitro-2,3-dihydro-1H-pyrazol-3-one
- IUPAC
- 5-methyl-4-nitro-1,2-dihydropyrazol-3-one
- English name
- 5-methyl-4-nitro-1H-pyrazol-3(2H)-one
- Molecular formula
- C4H5N3O3
- Molecular weight
- 143.1
Names & synonyms
61885-21-05-methyl-4-nitro-2,3-dihydro-1H-pyrazol-3-oneDTXSID20409213RefChem:304177DTXCID503600655-methyl-4-nitro-1,2-dihydropyrazol-3-one5-METHYL-4-NITRO-1,2-DIHYDRO-3H-PYRAZOL-3-ONEMFCD16619857NSC291115SCHEMBL17260125LCA88521AKOS023556695
Show more names
3-Methyl-4-nitro-5-pyrazolone5-methyl-4-nitro-1H-pyrazol-3-ol3H-Pyrazol-3-one, 1,2-dihydro-5-methyl-4-nitro-
NSC-291115SY1455885-Methyl-4-nitro-1h-pyrazol-3(2h)-oneDB-196683CS-0223608EN300-116001
Database identifiers
- CAS
61885-21-0- PubChem CID
- 5180232
- DTXSID
DTXSID20409213- EC Number
- 160-587-5
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 87 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 226
Physicochemical properties
- Melting point
- 224 °C · 224 °C
- Density
- 1.51 · 1.51±0.1 g/cm3(Predicted)
- pka
- 5.09 · 5.09±0.70(Predicted)
- 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.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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