Diethyl 2,2-diethoxyethylphosphonate - CAS 7598-61-0
Catalog: |
BB043836 |
Product Name: |
Diethyl 2,2-diethoxyethylphosphonate |
CAS: |
7598-61-0 |
Synonyms: |
Diethyl (2,2-diethoxyethyl)phosphonate; 2,2-Diethoxyethylphosphonic Acid Diethyl Ester; Diethyl phosphonoacetaldehyde diethyl acetal; NSC 407851; NSC 77101 |
IUPAC Name: | 2-diethoxyphosphoryl-1,1-diethoxyethane |
Description: | Diethyl 2,2-diethoxyethylphosphonate (CAS# 7598-61-0 ) is a useful research chemical. |
Molecular Weight: | 254.26 |
Molecular Formula: | C10H23O5P |
Canonical SMILES: | CCOC(CP(=O)(OCC)OCC)OCC |
InChI: | InChI=1S/C10H23O5P/c1-5-12-10(13-6-2)9-16(11,14-7-3)15-8-4/h10H,5-9H2,1-4H3 |
InChI Key: | LUQYELQXRPNKRY-UHFFFAOYSA-N |
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: | 193 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 254.12831083 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 254.12831083 |
Rotatable Bond Count: | 10 |
Topological Polar Surface Area: | 54 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.7 |
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