Methyl Bis(2,2,2-trifluoroethyl)phosphonoacetate - CAS 88738-78-7
Catalog: |
BB039169 |
Product Name: |
Methyl Bis(2,2,2-trifluoroethyl)phosphonoacetate |
CAS: |
88738-78-7 |
Synonyms: |
2-[bis(2,2,2-trifluoroethoxy)phosphoryl]acetic acid methyl ester; methyl 2-[bis(2,2,2-trifluoroethoxy)phosphoryl]acetate |
IUPAC Name: | methyl 2-[bis(2,2,2-trifluoroethoxy)phosphoryl]acetate |
Description: | Methyl Bis(2,2,2-trifluoroethyl)phosphonoacetate (CAS# 88738-78-7) is a useful research chemical. |
Molecular Weight: | 318.11 |
Molecular Formula: | C7H9F6O5P |
Canonical SMILES: | COC(=O)CP(=O)(OCC(F)(F)F)OCC(F)(F)F |
InChI: | InChI=1S/C7H9F6O5P/c1-16-5(14)2-19(15,17-3-6(8,9)10)18-4-7(11,12)13/h2-4H2,1H3 |
InChI Key: | PVSJXEDBEXYLML-UHFFFAOYSA-N |
Boiling Point: | 472.6 °C at 760 mmHg |
Density: | 1.504 g/mL at 25°C(lit.) |
MDL: | MFCD00009901 |
LogP: | 2.51030 |
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 |
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PMID | Publication Date | Title | Journal |
12036038 | 20020501 | A facile method for the stereoselective Horner-Wadsworth-Emmons reaction of aryl alkyl ketones | Chemical & pharmaceutical bulletin |
Complexity: | 329 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 318.00917935 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 11 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 318.00917935 |
Rotatable Bond Count: | 7 |
Topological Polar Surface Area: | 61.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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