Basic information
- CAS
647032-15-3- Standard SMILES
O=Cc1cn(-c2ccc([N+](=O)[O-])cc2)nc1-c1ccc(Br)cc1- InChIKey
SACVZRJLXWGYEN-UHFFFAOYSA-N- Molecular formula
- C16H10BrN3O3
- Average molar mass
- 372.17 g/mol
- Monoisotopic mass
- 370.99055
Names & identifiers
- Preferred name
- 3-(4-Bromophenyl)-1-(4-nitrophenyl)-1H-pyrazole-4-carbaldehyde
- IUPAC
- 3-(4-bromophenyl)-1-(4-nitrophenyl)pyrazole-4-carbaldehyde
Names & synonyms
647032-15-33-(4-BROMOPHENYL)-1-(4-NITROPHENYL)-1H-PYRAZOLE-4-CARBALDEHYDE1H-Pyrazole-4-carboxaldehyde, 3-(4-bromophenyl)-1-(4-nitrophenyl)-DTXSID60399184AKOS024404706
Database identifiers
- CAS
647032-15-3- PubChem CID
- 4089693
- DTXSID
DTXSID60399184- EC Number
- 120-930-1
- Nikkaji
- J1.911.570D
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 80.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 429
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%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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