Tetraethyl (ethoxycarbonylethylidene)bisphosphonate - CAS 1112-29-4
Catalog: |
BB043356 |
Product Name: |
Tetraethyl (ethoxycarbonylethylidene)bisphosphonate |
CAS: |
1112-29-4 |
Synonyms: |
Propanoic acid, 3,3-bis(diethoxyphosphinyl)-, ethyl ester; SCHEMBL8598579; CTK0D4120; ZINC34514121; AKOS017343305; OR201491 |
IUPAC Name: | ethyl 3,3-bis(diethoxyphosphoryl)propanoate |
Description: | Tetraethyl (ethoxycarbonylethylidene)bisphosphonate (CAS# 1112-29-4 ) is a useful research chemical. |
Molecular Weight: | 374.31 |
Molecular Formula: | C13H28O8P2 |
Canonical SMILES: | CCOC(=O)CC(P(=O)(OCC)OCC)P(=O)(OCC)OCC |
InChI: | InChI=1S/C13H28O8P2/c1-6-17-12(14)11-13(22(15,18-7-2)19-8-3)23(16,20-9-4)21-10-5/h13H,6-11H2,1-5H3 |
InChI Key: | ZTCYNURFGOPDSN-UHFFFAOYSA-N |
Purity: | 95 % |
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: | 390 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 374.12594184 |
Formal Charge: | 0 |
Heavy Atom Count: | 23 |
Hydrogen Bond Acceptor Count: | 8 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 374.12594184 |
Rotatable Bond Count: | 14 |
Topological Polar Surface Area: | 97.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.5 |
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