Diethyl (isopropyloxycarbonylmethyl)phosphonate - CAS 50350-99-7
Catalog: |
BB043741 |
Product Name: |
Diethyl (isopropyloxycarbonylmethyl)phosphonate |
CAS: |
50350-99-7 |
Synonyms: |
Isopropyl 2-diethoxyphosphorylacetate; Acetic acid, (diethoxyphosphinyl)-, 1-methylethyl ester; Isopropyl diethylphosphonoacetate |
IUPAC Name: | propan-2-yl 2-diethoxyphosphorylacetate |
Description: | Diethyl (isopropyloxycarbonylmethyl)phosphonate (CAS# 50350-99-7 ) is a useful research chemical. |
Molecular Weight: | 238.22 |
Molecular Formula: | C9H19O5P |
Canonical SMILES: | CCOP(=O)(CC(=O)OC(C)C)OCC |
InChI: | InChI=1S/C9H19O5P/c1-5-12-15(11,13-6-2)7-9(10)14-8(3)4/h8H,5-7H2,1-4H3 |
InChI Key: | SWGMKWQNFIOGDY-UHFFFAOYSA-N |
Purity: | 98 % |
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]; H411 (100%): 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: | 229 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 238.0970107 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 238.0970107 |
Rotatable Bond Count: | 8 |
Topological Polar Surface Area: | 61.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.9 |
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