Ethyl (3-fluorobenzoyl)acetate - CAS 33166-77-7
Catalog: |
BB021585 |
Product Name: |
Ethyl (3-fluorobenzoyl)acetate |
CAS: |
33166-77-7 |
Synonyms: |
ethyl 3-(3-fluorophenyl)-3-oxopropanoate |
IUPAC Name: | ethyl 3-(3-fluorophenyl)-3-oxopropanoate |
Description: | Ethyl (3-fluorobenzoyl)acetate (CAS# 33166-77-7) is a useful research chemical. |
Molecular Weight: | 210.20 |
Molecular Formula: | C11H11FO3 |
Canonical SMILES: | CCOC(=O)CC(=O)C1=CC(=CC=C1)F |
InChI: | InChI=1S/C11H11FO3/c1-2-15-11(14)7-10(13)8-4-3-5-9(12)6-8/h3-6H,2,7H2,1H3 |
InChI Key: | MLABEWHVTXMKHP-UHFFFAOYSA-N |
Boiling Point: | 262-263 °C |
Purity: | 95 % |
Density: | 1.166 g/cm3 |
MDL: | MFCD03424809 |
LogP: | 1.96160 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | 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 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
EP-3598972-A1 | 4-phenyl-coumarin derivatives, processes for their preparation and uses thereof for the treatment of cancer | 20180725 |
US-10703735-B2 | 4-phenyl-coumarin derivatives, processes for their preparation and uses thereof for the treatment of cancer | 20180725 |
US-2020031794-A1 | 4-phenyl-coumarin derivatives, processes for their preparation and uses thereof for the treatment of cancer | 20180725 |
CN-108440291-B | Method for dehydrogenation and self-coupling of 1, 3-dicarbonyl compound under catalysis of visible light | 20180326 |
AU-2017352704-A1 | Pyrazolopyrimidine compound as PI3K inhibitor and use thereof | 20161102 |
Complexity: | 240 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 210.06922237 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 210.06922237 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 43.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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