Tetraethylmethylenbisphosphonat

Tetraethyl methylenediphosphonate

HCID 15455CAS 1660-94-2

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Grundinformationen

Standard-SMILES: CCOP(=O)(CP(=O)(OCC)OCC)OCC
InChIKey: STJWVOQLJPNAQL-UHFFFAOYSA-N
Summenformel: C9H22O6P2
Durchschnittliche Molmasse: 288,21 g/mol
Monoisotopische Masse: 288,08916168

Namen und Bezeichner

Bevorzugter Name: Tetraethyl methylenediphosphonate
IUPAC: 1-[diethoxyphosphorylmethyl(ethoxy)phosphoryl]oxyethane
Lokaler Name: Tetraethylmethylenbisphosphonat
Englischer Name: Tetraethyl methylenediphosphonate
Summenformel: C9H22O6P2
Molmasse: 288.21

Namen und Synonyme

Tetraethyl methylenediphosphonate1660-94-2Tetraethyl methylenebisphosphonateEINECS 216-764-5BRN 1813241Phosphonic acid, P,P'-methylenebis-, P,P,P',P'-tetraethyl esterMethylenediphosphonic acid, tetraethyl ester4-01-00-03071 (Beilstein Handbook Reference)RefChem:188555Phosphonic acid, methylenedi, tetraethyl esterPhosphonic acid, methylenebis, tetraethyl esterPhosphonic acid, P,P'methylenebis, P,P,P',P'tetraethyl ester

Weitere Namen anzeigen

1-5kgNSC 133889AURORA KA-1506enediphosphonateTenofovir Impurity 183BIS(DIETHOXYPHOSPHINYL)METHANEtetraethyl methylenediphosphateTetraethylemethylenediphosphonate

216-764-5STJWVOQLJPNAQL-UHFFFAOYSA-Ntetraethyl methylenebis(phosphonate)1-[diethoxyphosphorylmethyl(ethoxy)phosphoryl]oxyethaneTetraethyl methanediphosphonateMethylenebis(diethylphosphonate)Phosphonic acid, methylenebis-, tetraethyl esterTetraethyl diphosphonomethane

Datenbank-Bezeichner

CAS: 1660-94-2
PubChem CID: 15455
DTXSID: DTXSID60937146
UNII: WT3D5Q9EPC
EC Number: 216-764-5
Nikkaji: J40.747J

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,3
Polarare Oberfläche (TPSA): 71,1 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 6
Frei drehbare Bindungen: 10
Schwere Atome: 17
Formalladung: 0
Komplexität: 245

Experimentelle und physikochemische Eigenschaften

Chemical ClassesOther Classes -> Organophosphates, Other

SpringerMaterials PropertiesViscosity

Physical DescriptionClear colorless liquid; [Sigma-Aldrich MSDS]

Physikochemische Eigenschaften

Siedepunkt: 171 · 171-174 °C11 mm Hg(lit.)
Dichte: 1.16 g/mL · 1.16 g/mL at 25 °C(lit.)
Brechungsindex: 20 · n20/D 1.442(lit.)
Flammpunkt: 230 °F · >230 °F
storage temp.: Inert atmosphere,Room Temperature
Löslichkeit: Chloroform (Sparingly), Methanol (Slightly)
Aggregatzustand: Liquid
Wichte: 1.16 · 1.160
Farbe: Clear yellow to yellow-brown
Wasserlöslichkeit: Slightly miscible with water.
BRN: 1813241 · 1813241
InChI: InChI=1S/C9H22O6P2/c1-5-12-16(10,13-6-2)9-17(11,14-7-3)15-8-4/h5-9H2,1-4H3
InChIKey: STJWVOQLJPNAQL-UHFFFAOYSA-N
SMILES: C(P(=O)(OCC)OCC)P(=O)(OCC)OCC
CAS Datenbank: 1660 · 1660-94-2(CAS DataBase Reference)
EPA chemische Informationen: Phosphonic acid, methylenebis-, tetraethyl ester (1660-94-2)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

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 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazards SummaryIntravenous LD50 (mouse) = 180 mg/kg; [RTECS] A skin and strong eye irritant; [Sigma-Aldrich MSDS] See Dimethyl methylphosphonate, Dibutyl butylphosphonate, and Diethyl ethylphosphonate.

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

wgk: 3
tsca: TSCA listed
hs_code: 29319090
RTECS-Nr.: SZ9150000
risk_code: 36/37/38
Toxizität: mouse,LD50,intravenous,180mg/kg (180mg/kg),U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#03139,
hazard_code: Xi,C
hazard_note: Corrosive
safety_code: 26-36
Speicherklasse: 10 - Combustible liquids

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing InformationPhosphonic acid, P,P'-methylenebis-, P,P,P',P'-tetraethyl ester: INACTIVE

Anwendungen · 1 Eintrag

VerwendenTetraethyl methylidenebisphosphonate, can be used in the synthesis of tetrazoloquinoline-based mono- and bisphosphonate esters as potent anti-inflammatory agents. It is also an intermediate for the synthesis of new bisphosphonate and bisphosphonic acid derivatives with anticancer and antischistosomal activity.