Basic information
- CAS
2219375-80-9- Standard SMILES
Cn1cc(C(=O)CCl)c(C(F)F)n1- InChIKey
SPCIDFPILCUUKF-UHFFFAOYSA-N- Molecular formula
- C7H7ClF2N2O
- Average molar mass
- 208.59 g/mol
- Monoisotopic mass
- 208.0214969
Names & identifiers
- Preferred name
- 2-chloro-1-[3-(difluoromethyl)-1-methyl-1H-pyrazol-4-yl]ethan-1-one
- IUPAC
- 2-chloro-1-[3-(difluoromethyl)-1-methylpyrazol-4-yl]ethanone
Names & synonyms
2219375-80-92-chloro-1-[3-(difluoromethyl)-1-methyl-1H-pyrazol-4-yl]ethan-1-one2-chloro-1-(3-(difluoromethyl)-1-methyl-1H-pyrazol-4-yl)ethan-1-oneRefChem:468358997-651-4SCHEMBL222348272-chloro-1-[3-(difluoromethyl)-1-methylpyrazol-4-yl]ethanoneSPCIDFPILCUUKF-UHFFFAOYSA-NEN300-1700446Z3097355817
Database identifiers
- CAS
2219375-80-9- PubChem CID
- 137952012
- EC Number
- 997-651-4
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 34.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 203
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
Danger
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, 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 Corr. 1C (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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