1-Methyl-4-nitro-1H-pyrazole-3-carbonitrile
Basic information
- CAS
151599-40-5- Standard SMILES
Cn1cc([N+](=O)[O-])c(C#N)n1- InChIKey
MVTSLZIUHFKPMJ-UHFFFAOYSA-N- Molecular formula
- C5H4N4O2
- Average molar mass
- 152.11 g/mol
- Monoisotopic mass
- 152.03342538
Names & identifiers
- Preferred name
- 1-Methyl-4-nitro-1H-pyrazole-3-carbonitrile
- IUPAC
- 1-methyl-4-nitropyrazole-3-carbonitrile
- English name
- 1-METHYL-4-NITRO-1H-PYRAZOLE-3-CARBONITRILE
- Molecular formula
- C5H4N4O2
- Molecular weight
- 152.11
Names & synonyms
1-Methyl-4-nitro-1H-pyrazole-3-carbonitrile151599-40-51-methyl-4-nitropyrazole-3-carbonitrileMFCD004639981-methyl-4-nitro-pyrazole-3-carbonitrileSCHEMBL1559353BGA59940SBB009480STK400293AKOS000309982AKOS015922237AS-65950
Show more names
AKOS B019524ART-CHEM-BB B019524TIMTEC-BB SBB009480
ST008472DB-301507CS-0215437EN300-247209W187701-Methyl-4-nitro-1H-pyrazole-3-carbonitrile #1H-Pyrazole-3-carbonitrile, 1-methyl-4-nitro-SR-01000399528
Database identifiers
- CAS
151599-40-5- PubChem CID
- 535951
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 87.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 214
Physicochemical properties
- Boiling point
- 360.8 · 360.8±27.0 °C(Predicted)
- Density
- 1.5 · 1.50±0.1 g/cm3(Predicted)
- pka
- -6.09 · -6.09±0.10(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.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Suppliers
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Related reactions
2 records
Compound notes
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