1-[(4-Bromophenyl)methyl]-4-nitro-1H-pyrazole
Basic information
- CAS
333311-66-3- Standard SMILES
O=[N+]([O-])c1cnn(Cc2ccc(Br)cc2)c1- InChIKey
SNPMOHPWRHBEFU-UHFFFAOYSA-N- Molecular formula
- C10H8BrN3O2
- Average molar mass
- 282.09 g/mol
- Monoisotopic mass
- 280.97999
Names & identifiers
- Preferred name
- 1-[(4-Bromophenyl)methyl]-4-nitro-1H-pyrazole
- IUPAC
- 1-[(4-bromophenyl)methyl]-4-nitropyrazole
- English name
- 1-[(4-bromophenyl)methyl]-4-nitro-1H-pyrazole
- Molecular formula
- C10H8BrN3O2
- Molecular weight
- 282.09
Names & synonyms
1-[(4-Bromophenyl)methyl]-4-nitro-1H-pyrazole333311-66-31-(4-Bromobenzyl)-4-nitro-1H-pyrazole1-[(4-bromophenyl)methyl]-4-nitropyrazoleMFCD02732839DTXSID601252878AKOS0005057991-[(4-bromophenyl)methyl]-4-nitro-pyrazoleST51172698AG-690/15438329A1-226401H-Pyrazole, 1-[(4-bromophenyl)methyl]-4-nitro-
Database identifiers
- CAS
333311-66-3- PubChem CID
- 846909
- DTXSID
DTXSID601252878- EC Number
- 121-019-1
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 251
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]
P264, P270, P301+P317, P330, 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%)
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Related reactions
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Compound notes
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