Grundinformationen
- Standard-SMILES
CCOP(=O)(CC(C)=O)OCC- InChIKey
RSAFKRSMGOSHRK-UHFFFAOYSA-N- Summenformel
- C7H15O4P
- Durchschnittliche Molmasse
- 194,17 g/mol
- Monoisotopische Masse
- 194,07079595
Namen und Bezeichner
- Bevorzugter Name
- 1-Diethoxyphosphorylpropan-2-one
- IUPAC
- 1-diethoxyphosphorylpropan-2-one
- Englischer Name
- Diethyl (2-oxopropyl)phosphonate
- Summenformel
- C7H15O4P
- Molmasse
- 194.17
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
1067-71-6- PubChem CID
- 14028
- DTXSID
DTXSID90147731- EC Number
- 682-094-9
- Nikkaji
- J584.455J
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0
- Polarare Oberfläche (TPSA)
- 52,6 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 6
- Schwere Atome
- 12
- Formalladung
- 0
- Komplexität
- 180
Physikochemische Eigenschaften
- Siedepunkt
- 126 °C9 · 126 °C9 mm Hg(lit.)
- Dichte
- 1.01 g/mL · 1.01 g/mL at 25 °C(lit.)
- Brechungsindex
- 20 · n20/D 1.433(lit.)
- Flammpunkt
- 230 °F · >230 °F
- storage temp.
- Inert atmosphere,Room Temperature
- Löslichkeit
- Miscible with tetrahydrofuran, ether, dichloromethane and chloroform.
- Aggregatzustand
- Liquid
- Farbe
- Clear colorless to light yellow
- InChI
- InChI=1S/C7H15O4P/c1-4-10-12(9,11-5-2)6-7(3)8/h4-6H2,1-3H3
- InChIKey
- RSAFKRSMGOSHRK-UHFFFAOYSA-N
- SMILES
- P(CC(=O)C)(=O)(OCC)OCC
- CAS Datenbank
- 1067 · 1067-71-6(CAS DataBase Reference)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 33.3% (1 of 3) of reports.
Danger
H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral];H315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation];H318 (33.3%): Causes serious eye damage [Danger Serious eye damage/eye irritation];H319 (33.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H332 (33.3%): Harmful if inhaled [Warning Acute toxicity, inhalation];H335 (33.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation];H411 (33.3%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 1 of 3 reports by companies.;There are 2 notifications provided by 2 of 3 reports by companies with hazard statement code(s).;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Gefahrenhinweise
Sicherheitsdaten
- wgk
- 3
- hs_code
- 29319090
- safety_code
- 24/25
- Speicherklasse
- 10 - Combustible liquids
Chemie und Industrie
Anwendungen
VerwendenDiethyl (2-Oxopropyl)phosphonate, is used in the preparation of enantipure acetoxyalkanephosphonates thru dynamic enzymic kinetic resolution alpha- and beta-hydroxalkanephosphonates.
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