Basic information
- CAS
1156510-01-8- Standard SMILES
CCOC(=O)c1nn(-c2ccccc2)cc1C=O- InChIKey
LUXQUZWWWWBKFW-UHFFFAOYSA-N- Molecular formula
- C13H12N2O3
- Average molar mass
- 244.25 g/mol
- Monoisotopic mass
- 244.08479225
Names & identifiers
- Preferred name
- ethyl 4-formyl-1-phenyl-1H-pyrazole-3-carboxylate
- IUPAC
- ethyl 4-formyl-1-phenylpyrazole-3-carboxylate
Names & synonyms
ethyl 4-formyl-1-phenyl-1H-pyrazole-3-carboxylate1156510-01-8ethyl 4-formyl-1-phenylpyrazole-3-carboxylateMFCD11559136GWB51001AKOS002675442AS-41887SY175096CS-0249646EN300-44231ethyl 4-formyl-1-phenyl-pyrazole-3-carboxylateethyl4-formyl-1-phenyl-1H-pyrazole-3-carboxylate
Show more names
F332305Z448099476
Database identifiers
- CAS
1156510-01-8- PubChem CID
- 28811132
- EC Number
- 157-332-5
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 61.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 303
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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