Tetramethyl methylenediphosphonate

HCID 519206

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Grundinformationen

CAS: 16001-93-7
Standard-SMILES: COP(=O)(CP(=O)(OC)OC)OC
InChIKey: XAVFZUKFLWOSOS-UHFFFAOYSA-N
Summenformel: C5H14O6P2
Durchschnittliche Molmasse: 232,11 g/mol
Monoisotopische Masse: 232,02656216

Namen und Bezeichner

Bevorzugter Name: Tetramethyl methylenediphosphonate
IUPAC: bis(dimethoxyphosphoryl)methane
Englischer Name: TETRAMETHYL METHYLENEDIPHOSPHONATE
Summenformel: C5H14O6P2
Molmasse: 232.11

Namen und Synonyme

16001-93-7Tetramethyl methylenediphosphonateDTXSID30333919RefChem:1099716DTXCID70285009bis(dimethoxyphosphoryl)methaneTetramethyl methylenebis(phosphonate)Phosphonic acid, P,P'-methylenebis-, P,P,P',P'-tetramethyl esterMFCD00014884SCHEMBL328930tetramethyl-methylenediphosphonatedimethyl [(dimethoxyphosphoryl)methyl]phosphonate

Weitere Namen anzeigen

Tetramethyl methylenediphosphonate, 98+%bis(dimethoxyphosphoryl)methane - [B83314]Tetramethyl methylenediphosphonatedisc 6/01(Dimethoxy-phosphorylmethyl)-phosphonicaciddimethylester1-(2,3-dideoxy-3-fluoro-β-D-threo-pentofuranosyl)thymine

(dimethoxy-phosphorylmethyl)-phosphonic acid dimethyl esterCS-0316451D97325Phosphonic acid, methylenebis-, tetramethyl esterMethylenediphosphonic acid tetramethyl esterSCHEMBL7525659tetramethyl methanebisphosphonatetetramethyl methylenebisphosphonate

Datenbank-Bezeichner

CAS: 16001-93-7
PubChem CID: 519206
DTXSID: DTXSID30333919
EC Number: 678-767-1
Nikkaji: J381.065H

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -1,2
Polarare Oberfläche (TPSA): 71,1 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 6
Frei drehbare Bindungen: 6
Schwere Atome: 13
Formalladung: 0
Komplexität: 199

Physikochemische Eigenschaften

Siedepunkt: 152 · 152-154°C 2,5mm
Dichte: 1 · 1+-.0.06 g/cm3(Predicted)
Brechungsindex: 1.455 · 1.4550
Flammpunkt: 152 · 152-154°C/2.5mm
storage temp.: 2 · 2-8°C
Löslichkeit: Chloroform (Sparingly), Methanol (Sparingly)
Aggregatzustand: Oil
Farbe: Colourless
Wasserlöslichkeit: Miscible with water.
BRN: 1874756 · 1874756
Stabilität: Moisture Sensitive
InChI: InChI=1S/C5H14O6P2/c1-8-12(6,9-2)5-13(7,10-3)11-4/h5H2,1-4H3
InChIKey: XAVFZUKFLWOSOS-UHFFFAOYSA-N
SMILES: C(P(=O)(OC)OC)P(=O)(OC)OC
CAS Datenbank: 16001 · 16001-93-7

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

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

Aggregated GHS information provided per 4 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；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.