Triethyl phosphonoacetate - CAS 867-13-0
Catalog: |
BB043857 |
Product Name: |
Triethyl phosphonoacetate |
CAS: |
867-13-0 |
Synonyms: |
AURORA KA-1452; Ethoxycarbonylmethanephosphonic acid diethyl ester; Ethyl 2-(diethoxyphosphoryl)acetate; Ethyl Diethylphosphonoacetate; Diethyl ethoxycarbonylmethylphosphonate; Diethyl ethoxycarbonylmethanephosphonate; Diethylphosphonoacetic Acid Ethyl Ester |
Application: |
Reagent used for Horner-Emmons modification. |
IUPAC Name: | ethyl 2-diethoxyphosphorylacetate |
Description: | Triethyl phosphonoacetate is a reagent used for Horner-Emmons modification. |
Molecular Weight: | 224.19 |
Molecular Formula: | C8H17O5P |
Canonical SMILES: | CCOC(=O)CP(=O)(OCC)OCC |
InChI: | InChI=1S/C8H17O5P/c1-4-11-8(9)7-14(10,12-5-2)13-6-3/h4-7H2,1-3H3 |
InChI Key: | GGUBFICZYGKNTD-UHFFFAOYSA-N |
Boiling Point: | 142-145 ℃ at 9 mmHg (lit.) |
Melting Point: | -24 ℃ |
Flash Point: | 141.6ºC |
Purity: | 99 % by CP; 99 % atom 13C |
Density: | 1.13 g/cm3 |
Appearance: | Colorless, clear liquid |
Storage: | Store at RT |
MDL: | MFCD00009177 |
LogP: | 1.81560 |
Refractive Index: | 1.43-1.432 |
Stability: | Stable under normal temperatures and pressures. |
GHS Hazard Statement: | H315 (21.21%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (90.91%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (15.15%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]; H411 (43.94%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard] |
Precautionary Statement: | P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 206 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 224.08136064 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 224.08136064 |
Rotatable Bond Count: | 8 |
Topological Polar Surface Area: | 61.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.5 |
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