1-Diethoxyphosphorylpropan-2-one

Diethyl Acetonylphosphonate · DIETHYL(2-OXOPROPYL)PHOSPHONATE · AURORA KA-1476 · DIETHYL ACETYLPHOSPHONATE · Diethyl (2-oxopropyl)phosphote · Diethyl acetylmethylphosphonate · 1-Diethoxyphosphinyl-2-propanone · Diethyle(2-oxopropyl)phosphonate

https://huagongshe.com/de/chemical/14028

Molekülstruktur von 1-Diethoxyphosphorylpropan-2-one

Identifikatoren & physikalische Daten

CAS No.	1067-71-6
Summenformel	C7H15O4P
Durchschnittliche Molmasse	194,17 g/mol
Monoisotopische Masse	194,07079595 g/mol
SMILES	CCOP(=O)(CC(C)=O)OCC
InChIKey	RSAFKRSMGOSHRK-UHFFFAOYSA-N
PubChem CID	14028
EC No.	682-094-9
DTXSID	DTXSID90147731

Chemische & physikalische Eigenschaften

XLogP	0
Polarare Oberfläche (TPSA)	52,6
H-Brücken-Donoren	0
H-Brücken-Akzeptoren	4
Frei drehbare Bindungen	6
Schwere Atome	12
Formalladung	0
Komplexität	180
Siedepunkt	126 °C9 mm Hg(lit.)
Dichte	1.01 g/mL at 25 °C(lit.)
Brechungsindex	n20/D 1.433(lit.)
Flammpunkt	>230 °F
Lagerbedingungen	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	1067-71-6(CAS DataBase Reference)

Sicherheit & Vorschriften

GHS-Einstufung	This chemical does not meet GHS hazard criteria for 33.3% (1 of 3) of reports.DangerH302 (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 exposureRespiratory 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.
Hazard Classes and Categories	Acute Tox. 4 (33.3%)Skin Irrit. 2 (66.7%)Eye Dam. 1 (33.3%)Eye Irrit. 2A (33.3%)STOT SE 3 (33.3%)Aquatic Chronic 2 (33.3%)
Wassergefährdungsklasse (WGK)	3
Zollcode	29319090
Sicherheitshinweise (S)	24/25
Lagerklasse

Anwendungen & Verwendung

Verwenden

Diethyl (2-Oxopropyl)phosphonate, is used in the preparation of enantipure acetoxyalkanephosphonates thru dynamic enzymic kinetic resolution alpha- and beta-hydroxalkanephosphonates.