Basic information
- CAS
1152836-50-4- Standard SMILES
O=C(O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1- InChIKey
KZHHALAAVBNCLT-UHFFFAOYSA-N- Molecular formula
- C10H7N3O4
- Average molar mass
- 233.18 g/mol
- Monoisotopic mass
- 233.04365571
Names & identifiers
- Preferred name
- 1-(3-nitrophenyl)-1H-pyrazole-3-carboxylic acid
- IUPAC
- 1-(3-nitrophenyl)pyrazole-3-carboxylic acid
Names & synonyms
1-(3-nitrophenyl)-1H-pyrazole-3-carboxylic acid1152836-50-4RefChem:424089834-944-71-(3-nitrophenyl)pyrazole-3-carboxylic acidSCHEMBL16062208CWB83650MFCD11505396AKOS009292229SY179380CS-0248142EN300-39238
Show more names
G247931-(3-nitrophenyl)-1H-pyrazole-3-carboxylicacidZ382695806
Database identifiers
- CAS
1152836-50-4- PubChem CID
- 39870004
- EC Number
- 834-944-7
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 317
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%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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