1-[(2,4-Dichlorophenyl)methyl]-3,5-dimethyl-4-nitropyrazole
Basic information
- CAS
92696-22-5- Standard SMILES
Cc1nn(Cc2ccc(Cl)cc2Cl)c(C)c1[N+](=O)[O-]- InChIKey
WBRBTQNWZCSLOZ-UHFFFAOYSA-N- Molecular formula
- C12H11Cl2N3O2
- Average molar mass
- 300.14 g/mol
- Monoisotopic mass
- 299.022832
Names & identifiers
- Preferred name
- 1-[(2,4-Dichlorophenyl)methyl]-3,5-dimethyl-4-nitropyrazole
- IUPAC
- 1-[(2,4-dichlorophenyl)methyl]-3,5-dimethyl-4-nitropyrazole
- English name
- 1-(2,4-dichlorobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole
- Molecular formula
- C12H11Cl2N3O2
- Molecular weight
- 300.14
Names & synonyms
1-(2,4-dichlorobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole1-[(2,4-dichlorophenyl)methyl]-3,5-dimethyl-4-nitropyrazoleSTK302447AKOS00374949292696-22-5ST098651AK-968/419234591-(2,4-dichlorobenzyl)-4-nitro-3,5-dimethyl-1H-pyrazole1-[(2,4-dichlorophenyl)methyl]-3,5-dimethyl-4-nitro-1H-pyrazole1H-Pyrazole, 1-[(2,4-dichlorophenyl)methyl]-3,5-dimethyl-4-nitro-
Database identifiers
- CAS
92696-22-5- PubChem CID
- 843553
- EC Number
- 120-911-8
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 339
Physicochemical properties
- Boiling point
- 433.8 · 433.8±45.0 °C(Predicted)
- Density
- 1.45 · 1.45±0.1 g/cm3(Predicted)
- pka
- -1.49 · -1.49±0.10(Predicted)
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
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P270, P301+P316, P321, P330, 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. 3 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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