Diethyl acetylphosphonate

HCID 522997CAS 919-19-7

Substructure search Find similar structures

Basic information

Standard SMILES: CCOP(=O)(OCC)C(C)=O
InChIKey: YOHJPFQGGNEGSE-UHFFFAOYSA-N
Molecular formula: C6H13O4P
Average molar mass: 180.14 g/mol
Monoisotopic mass: 180.05514553

Names & identifiers

Preferred name: Diethyl acetylphosphonate
IUPAC: 1-diethoxyphosphorylethanone
English name: ACETYLPHOSPHONIC ACID DIETHYL ESTER
Molecular formula: C6H13O4P
Molecular weight: 180.14

Names & synonyms

Diethyl acetylphosphonate919-19-7DTXSID50335132RefChem:587190DTXCID00286221670-926-3Acetylphosphonic Acid Diethyl Ester1-diethoxyphosphorylethanoneMFCD00015138DIETHYLACETYLPHOSPHONATEO,O-Diethyl acetylphosphonateSCHEMBL282713

Show more names

Diethyl Acetylphosphonate >ACETYLPHOSPHONIC ACID DIETHYL ESTER1-Oxoethylphosphonic acid diethyl esterPhosphonic acid, P-acetyl-, diethyl ester

1-(Diethoxyphosphinyl)ethanoneDiethyl (1-oxoethyl)phosphonateYOHJPFQGAAA91919Acetyl-phosphonic acid diethyl esterPhosphonic acid, acetyldiethyl esterAKOS006228182AS-60552

Database identifiers

CAS: 919-19-7
PubChem CID: 522997
DTXSID: DTXSID50335132
EC Number: 670-926-3
Nikkaji: J429.870E

Properties

Computed structural properties

XLogP: 0
Topological polar surface area: 52.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 5
Heavy atoms: 11
Formal charge: 0
Complexity: 167

Experimental & physicochemical properties

SpringerMaterials PropertiesChemical shift

Physicochemical properties

Boiling point: 54 · 54-55°C 0,5mm
Density: 1 · 1,11 g/cm3
refractive index: 1.421 · 1.4210-1.4240
InChI: InChI=1S/C6H13O4P/c1-4-9-11(8,6(3)7)10-5-2/h4-5H2,1-3H3
InChIKey: YOHJPFQGGNEGSE-UHFFFAOYSA-N
SMILES: P(C(C)=O)(=O)(OCC)OCC
CAS DataBase Reference: 919 · 919-19-7
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
Risk Statements: 20 · 20/21/22-36/37/38
Safety Statements: 26 · 26-36/37/39

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.