3-(Methacrylamido)-1-(2,2,2-trifluoroethyl)-2-pyrazolin-5-one
Basic information
- CAS
29572-45-0- Standard SMILES
C=C(C)C(=O)NC1=NN(CC(F)(F)F)C(=O)C1- InChIKey
GCCGCXWGQXBAJI-UHFFFAOYSA-N- Molecular formula
- C9H10F3N3O2
- Average molar mass
- 249.19 g/mol
- Monoisotopic mass
- 249.07251106
Names & identifiers
- Preferred name
- 3-(Methacrylamido)-1-(2,2,2-trifluoroethyl)-2-pyrazolin-5-one
- IUPAC
- 2-methyl-N-[5-oxo-1-(2,2,2-trifluoroethyl)-4H-pyrazol-3-yl]prop-2-enamide
Names & synonyms
29572-45-03-(METHACRYLAMIDO)-1-(2,2,2-TRIFLUOROETHYL)-2-PYRAZOLIN-5-ONERefChem:495351667-286-2N-(5-Oxo-1-(2,2,2-trifluoroethyl)-4,5-dihydro-1H-pyrazol-3-yl)methacrylamideSCHEMBL11579361GCCGCXWGQXBAJI-UHFFFAOYSA-NAKOS024335354
Database identifiers
- CAS
29572-45-0- PubChem CID
- 4580582
- EC Number
- 667-286-2
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 401
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)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
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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