1-ethyl-5-phenyl-1H-pyrazole-4-carboxylic acid
Basic information
- CAS
1250673-36-9- Standard SMILES
CCn1ncc(C(=O)O)c1-c1ccccc1- InChIKey
LRHONBYCCYYORC-UHFFFAOYSA-N- Molecular formula
- C12H12N2O2
- Average molar mass
- 216.24 g/mol
- Monoisotopic mass
- 216.08987763
Names & identifiers
- Preferred name
- 1-ethyl-5-phenyl-1H-pyrazole-4-carboxylic acid
- IUPAC
- 1-ethyl-5-phenylpyrazole-4-carboxylic acid
Names & synonyms
1-ethyl-5-phenyl-1H-pyrazole-4-carboxylic acid1250673-36-9RefChem:432585102-971-71-ethyl-5-phenylpyrazole-4-carboxylic acidAAC67336AKOS0106267701-ethyl-5-phenyl-pyrazole-4-carboxylic acidCS-02371101-ethyl-5-phenyl-1H-pyrazole-4-carboxylicacidEN300-178059G48443
Show more names
Z808584816
Database identifiers
- CAS
1250673-36-9- PubChem CID
- 61369277
- EC Number
- 102-971-7
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- 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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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 CategoriesSkin Irrit. 2 (100%)
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Related reactions
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Compound notes
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