Ethyl 2,2-difluoro-2-(1-hydroxycyclopentyl)acetate
Basic information
- CAS
156544-74-0- Standard SMILES
CCOC(=O)C(F)(F)C1(O)CCCC1- InChIKey
JRDSMWUOOBAVSI-UHFFFAOYSA-N- Molecular formula
- C9H14F2O3
- Average molar mass
- 208.2 g/mol
- Monoisotopic mass
- 208.09110063
Names & identifiers
- Preferred name
- Ethyl 2,2-difluoro-2-(1-hydroxycyclopentyl)acetate
- IUPAC
- ethyl 2,2-difluoro-2-(1-hydroxycyclopentyl)acetate
- English name
- ethyl 2,2-difluoro-2-(1-hydroxycyclopentyl)acetate
- Molecular formula
- C9H14F2O3
- Molecular weight
- 208.2
Names & synonyms
Ethyl 2,2-difluoro-2-(1-hydroxycyclopentyl)acetate156544-74-0SCHEMBL17420516GGA54474AKOS011686567EN300-177794Ethyl2,2-difluoro-2-(1-hydroxycyclopentyl)acetateCyclopentaneacetic acid, α,α-difluoro-1-hydroxy-, ethyl ester
Database identifiers
- CAS
156544-74-0- PubChem CID
- 11052834
- EC Number
- 171-876-0
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 222
Physicochemical properties
- Boiling point
- 249.5 · 249.5±25.0 °C(Predicted)
- Density
- 1.263 · 1.263±0.06 g/cm3(Predicted)
- pka
- 13.05 · 13.05±0.20(Predicted)
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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