Ethyl 3-(2-fluorophenyl)-3-oxopropanoate
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Basic information
- CAS
1479-24-9- Standard SMILES
CCOC(=O)CC(=O)c1ccccc1F- InChIKey
YMUNUVJSNWUWDA-UHFFFAOYSA-N- Molecular formula
- C11H11FO3
- Average molar mass
- 210.2 g/mol
- Monoisotopic mass
- 210.06922243
Names & identifiers
- Preferred name
- Ethyl 3-(2-fluorophenyl)-3-oxopropanoate
- IUPAC
- ethyl 3-(2-fluorophenyl)-3-oxopropanoate
- English name
- 3-(2-Fluoro-phenyl)-3-oxo-propionic acid ethyl ester
- Molecular formula
- C11H11FO3
- Molecular weight
- 210.2
Names & synonyms
1479-24-9ethyl 3-(2-fluorophenyl)-3-oxopropanoateDTXSID40304594RefChem:1084839DTXCID10255726Ethyl 3-(2-fluorophenyl)-3-oxo-propionateEthyl (2-fluorobenzoyl)acetateMFCD000003213-(2-fluorophenyl)-3-oxopropionic acid ethyl esterBenzenepropanoic acid, 2-fluoro-beta-oxo-, ethyl ester(2-Fluorobenzoyl)acetic Acid Ethyl Esterethyl 3-(2-fluorophenyl)-3-oxopropionate
Show more names
RMA-126NSC 166423Ethyl(2-Fluorobenzoyl)acetate>2-Fluorobenzoylacetic acid ethyl ester2-[(2-fluorophenyl)-oxomethyl]butanoateEthyl 3-oxo-3-(2-fluorophenyl)propionateEthyl (2-fluorobenzoyl)acetate technical grade
ethyl 3-(2-fluorophenyl)-3-oxo-propanoate3-(2-Fluoro-Phenyl)-3-Oxo-Propionic Acid Ethyl EsterNSC1664232-Fluorobenzoylacetic acid ethyl esterVonoprazan Impurity 192ethyl 2-fluorobenzoylacetateethyl-2-fluorobenzoylacetateSCHEMBL312900
Database identifiers
- CAS
1479-24-9- PubChem CID
- 296342
- DTXSID
DTXSID40304594- Nikkaji
- J265.454G
Properties
Computed structural propertiesFilling in
- XLogP
- 2
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 240
Physicochemical properties
- Boiling point
- 124 · 124-125℃ (1.5 Torr)
- Density
- 1.164 g/mL · 1.164 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.516(lit.)
- Flash point
- 230 °F · >230 °F
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- form
- Liquid
- pka
- 10.03 · 10.03±0.46(Predicted)
- color
- Colorless to Light orange to Yellow
- InChI
- 1S/C11H11FO3/c1-2-15-11(14)7-10(13)8-5-3-4-6-9(8)12/h3-6H,2,7H2,1H3
- InChIKey
- YMUNUVJSNWUWDA-UHFFFAOYSA-N
- SMILES
- CCOC(=O)CC(=O)c1ccccc1F
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- PPE
- Eyeshields, Gloves
- WGK Germany
- 3 · 3
- HS Code
- 2918.3 · 2918.30.9000
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- PPE
- Eyeshields, Gloves
- wgk
- 3
- hs_code
- 2918.30.9000
- Storage Class
- 10 - Combustible liquids
Chemistry & industry
Applications
UsesEthyl (2-fluorobenzoyl)acetate may be used in chemical synthesis.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
26 records
Compound notes
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