ALLYL DIETHYLPHOSPHONOACETATE - CAS 113187-28-3
Catalog: |
BB043359 |
Product Name: |
ALLYL DIETHYLPHOSPHONOACETATE |
CAS: |
113187-28-3 |
Synonyms: |
DIETHYL(3-PROP-1-ENYL)PHOSPHONATE; ALLYL DIETHYLPHOSPHONOACETATE; ALLYL P,P-DIETHYLPHOSPHONOACETATE; phosphonoacetic acid p,p-diethyl allyl ester; Diethyl(3-prop-1-enyl)phosphonate, 98 % |
IUPAC Name: | prop-2-enyl 2-diethoxyphosphorylacetate |
Description: | ALLYL DIETHYLPHOSPHONOACETATE (CAS# 113187-28-3 ) is a useful research chemical. |
Molecular Weight: | 236.20 |
Molecular Formula: | C9H17O5P |
Canonical SMILES: | CCOP(=O)(CC(=O)OCC=C)OCC |
InChI: | InChI=1S/C9H17O5P/c1-4-7-12-9(10)8-15(11,13-5-2)14-6-3/h4H,1,5-8H2,2-3H3 |
InChI Key: | USZLAMOPIWNLPH-UHFFFAOYSA-N |
Boiling Point: | 157-158 °C10 mmHg (lit.) |
Purity: | 98 % |
Density: | 1.12 g/mL at 25 °C(lit.) |
Appearance: | Colorless liquid |
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 |
Complexity: | 241 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 236.08136064 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 236.08136064 |
Rotatable Bond Count: | 9 |
Topological Polar Surface Area: | 61.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
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