ethyl (2S)-2-fluoropropanoate
Basic information
- CAS
72959-95-6- Standard SMILES
CCOC(=O)[C@H](C)F- InChIKey
ODMITNOQNBVSQG-BYPYZUCNSA-N- Molecular formula
- C5H9FO2
- Average molar mass
- 120.12 g/mol
- Monoisotopic mass
- 120.05865769
Names & identifiers
- Preferred name
- ethyl (2S)-2-fluoropropanoate
- IUPAC
- ethyl (2S)-2-fluoropropanoate
Names & synonyms
72959-95-6ethyl (2S)-2-fluoropropanoateRefChem:593034879-460-7Ethyl (S)-2-fluoropropionateETHYL (S)-2-FLUOROPROPANOATEMFCD31804723starbld0040585ethyl(2S)-2-fluoropropanoateAT11657EN300-7493379F808415
Show more names
Propanoic acid, 2-fluoro-, ethyl ester, (S)- (9CI)
Database identifiers
- CAS
72959-95-6- PubChem CID
- 6993979
- EC Number
- 879-460-7
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 82.5
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
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P316, P321, P330, P337+P317, P361+P364, P370+P378, P403+P233, P403+P235, 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 CategoriesFlam. Liq. 3 (100%)
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Related reactions
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Compound notes
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