Ethyl [bis(2,2,2-trifluoroethoxy)phosphinyl]acetate - CAS 124755-24-4
Catalog: |
BB005985 |
Product Name: |
Ethyl [bis(2,2,2-trifluoroethoxy)phosphinyl]acetate |
CAS: |
124755-24-4 |
Synonyms: |
ethyl 2-[bis(2,2,2-trifluoroethoxy)phosphoryl]acetate |
IUPAC Name: | ethyl 2-[bis(2,2,2-trifluoroethoxy)phosphoryl]acetate |
Description: | Ethyl [bis(2,2,2-trifluoroethoxy)phosphinyl]acetate (CAS# 124755-24-4) is a reagent used in the preparation of spiroketal EBC-23; an anticancer agent, scytonemin A; a novel calcium antagonist and other useful organic compounds. |
Molecular Weight: | 332.13 |
Molecular Formula: | C8H11F6O5P |
Canonical SMILES: | CCOC(=O)CP(=O)(OCC(F)(F)F)OCC(F)(F)F |
InChI: | InChI=1S/C8H11F6O5P/c1-2-17-6(15)3-20(16,18-4-7(9,10)11)19-5-8(12,13)14/h2-5H2,1H3 |
InChI Key: | HBYHPBCAZBLFTD-UHFFFAOYSA-N |
Boiling Point: | 249-250 °C (lit.) |
Purity: | 95 % |
Density: | 1.403 g/mL at 25 °C (lit.) |
Appearance: | Colorless to yellow liquid |
MDL: | MFCD01318337 |
LogP: | 2.90040 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2020247480-A1 | Compositions and methods for ascaroside modification of mammalian microbiota | 20190603 |
WO-2020236621-A1 | Ascaroside derivatives and methods of use | 20190517 |
KR-20200118820-A | Non-aqueous electrolyte and energy device using the same | 20180327 |
KR-20200118821-A | Non-aqueous electrolyte and power storage device using the same | 20180327 |
EP-3667803-A1 | Nonaqueous electrolyte secondary battery | 20170810 |
Complexity: | 343 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 332.02482942 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 11 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 332.02482942 |
Rotatable Bond Count: | 8 |
Topological Polar Surface Area: | 61.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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