1-(1-ethyl-1H-pyrazol-5-yl)ethan-1-one
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Basic information
- CAS
946655-79-4- Standard SMILES
CCn1nccc1C(C)=O- InChIKey
PUPCYOHVYDUGSY-UHFFFAOYSA-N- Molecular formula
- C7H10N2O
- Average molar mass
- 138.17 g/mol
- Monoisotopic mass
- 138.07931295
Names & identifiers
- Preferred name
- 1-(1-ethyl-1H-pyrazol-5-yl)ethan-1-one
- IUPAC
- 1-(2-ethylpyrazol-3-yl)ethanone
- English name
- 1-(2-ETHYL-2H-PYRAZOL-3-YL)-ETHANONE
- Molecular formula
- C7H10N2O
- Molecular weight
- 138.17
Names & synonyms
1-(1-ethyl-1H-pyrazol-5-yl)ethan-1-oneRefChem:419737958-745-01-(1-ethyl-1H-pyrazol-5-yl)ethanone946655-79-41-(2-ethylpyrazol-3-yl)ethanoneMFCD049673835-acetyl-1-ethylpyrazole1-(2-Ethyl-2H-pyrazol-3-yl)-ethanoneethanone, 1-(1-ethyl-1H-pyrazol-5-yl)-SCHEMBL336115DTXSID00426887
Show more names
AKOS B016266VITAS-BB TBB007478ART-CHEM-BB B0162661-(2-ethyl-3-pyrazolyl)ethanone1-(1-ethyl-1H-pyrazol-5-yl)ethanone(SALTDATA: FREE)
ALBB-012541SBB021380STK313156AKOS000306282LS-03925DB-017117CS-0240565ST45092352
Database identifiers
- CAS
946655-79-4- PubChem CID
- 7017233
- DTXSID
DTXSID00426887- EC Number
- 958-745-0
Properties
Computed structural propertiesFilling in
- XLogP
- 0.6
- Topological polar surface area
- 34.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 136
Physicochemical properties
- Boiling point
- 235.1 · 235.1±13.0 °C(Predicted)
- Density
- 1.08 · 1.08±0.1 g/cm3(Predicted)
- pka
- 0.28 · 0.28±0.10(Predicted)
- HazardClass
- IRRITANT
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%)
Safety data
- hazard_class
- IRRITANT
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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