TRIETHYL 4-PHOSPHONOCROTONATE - CAS 42516-28-9
Catalog: |
BB043714 |
Product Name: |
TRIETHYL 4-PHOSPHONOCROTONATE |
CAS: |
42516-28-9 |
Synonyms: |
Ethyl 4-(diethoxyphosphoryl)-2-butenoate; 2-Butenoic acid, 4-(diethoxyphosphinyl)-, ethyl ester; NSC100748 |
IUPAC Name: | ethyl 4-diethoxyphosphorylbut-2-enoate |
Description: | TRIETHYL 4-PHOSPHONOCROTONATE (CAS# 42516-28-9 ) is a useful research chemical. |
Molecular Weight: | 250.23 |
Molecular Formula: | C10H19O5P |
Canonical SMILES: | CCOC(=O)C=CCP(=O)(OCC)OCC |
InChI: | InChI=1S/C10H19O5P/c1-4-13-10(11)8-7-9-16(12,14-5-2)15-6-3/h7-8H,4-6,9H2,1-3H3 |
InChI Key: | LXLODBXSCRTXFG-UHFFFAOYSA-N |
Boiling Point: | 352.9 °C at 760 mmHg |
Purity: | Min. 90 % |
Density: | 1.099 g/cm3 |
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: | 264 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 250.0970107 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 250.0970107 |
Rotatable Bond Count: | 9 |
Topological Polar Surface Area: | 61.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.7 |
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