Ethyl 2,2-difluoro-2-(3-oxocyclopentyl)acetate
Basic information
- CAS
1423034-15-4- Standard SMILES
CCOC(=O)C(F)(F)C1CCC(=O)C1- InChIKey
RFZZLLYZIMHVAC-UHFFFAOYSA-N- Molecular formula
- C9H12F2O3
- Average molar mass
- 206.19 g/mol
- Monoisotopic mass
- 206.07545056
Names & identifiers
- Preferred name
- Ethyl 2,2-difluoro-2-(3-oxocyclopentyl)acetate
- IUPAC
- ethyl 2,2-difluoro-2-(3-oxocyclopentyl)acetate
- English name
- ethyl 2,2-difluoro-2-(3-oxocyclopentyl)acetate
- Molecular formula
- C9H12F2O3
- Molecular weight
- 206.1865864
Names & synonyms
ethyl 2,2-difluoro-2-(3-oxocyclopentyl)acetate1423034-15-4RefChem:593411976-050-0SCHEMBL15166676RFZZLLYZIMHVAC-UHFFFAOYSA-NYGC03415AKOS026728149CS-0223169EN300-114221ethyl2,2-difluoro-2-(3-oxocyclopentyl)acetate
Database identifiers
- CAS
1423034-15-4- PubChem CID
- 71756808
- EC Number
- 976-050-0
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 250
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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)
Aggregated GHS information provided per 2 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 CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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