Diphosphoryltetrachlorid

Diphosphoryl tetrachloride

HCID 4432411CAS 13498-14-1

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Grundinformationen

Standard-SMILES: O=P(Cl)(Cl)OP(=O)(Cl)Cl
InChIKey: CNTIXUGILVWVHR-UHFFFAOYSA-N
Summenformel: Cl4O3P2
Durchschnittliche Molmasse: 251,8 g/mol
Monoisotopische Masse: 249,80767784

Namen und Bezeichner

Bevorzugter Name: Diphosphoryl tetrachloride
IUPAC: Diphosphoric tetrachloride
Lokaler Name: Diphosphoryltetrachlorid
Englischer Name: Diphosphoryl chloride
Summenformel: Cl4O3P2
Molmasse: 251.76

Namen und Synonyme

Diphosphoryl chloride13498-14-1Diphosphoryl tetrachlorideEINECS 236-824-4DTXSID10159179RefChem:588993DTXCID6081670236-824-4Pyrophosphoryl chlorideDiphosphoryl Chloride 90%MFCD00061542Diphosphoryl Chloride 90per cent

Weitere Namen anzeigen

Pyrophosphoryl tetrachlorideDiphosphoryl chloridbis(phosphanone) chlorideDiphosphoryl Chloride >diphosphoryl tetrachlorideDiphosphoryl chloride, 90+%

Diphosphoric tetrachlorideCl4O3P2Pyrophosphoryl Chloride; Phosphorodichloridic Anhydride; Phosphorus Chloride Oxide; Pyrophosphoryl Tetrachloride; Tetrachloropyrophosphoric AcidDiphosphoryl chloride, 97%SCHEMBL261403AKOS028109518D2883D90126

Datenbank-Bezeichner

CAS: 13498-14-1
PubChem CID: 4432411
DTXSID: DTXSID10159179
EC Number: 236-824-4
Nikkaji: J241.152K

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,9
Polarare Oberfläche (TPSA): 43,4 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 2
Schwere Atome: 9
Formalladung: 0
Komplexität: 154

Experimentelle und physikochemische Eigenschaften

SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy

Physikochemische Eigenschaften

Schmelzpunkt: -50 °C · <-50°C
Siedepunkt: 90 °C12 · 90 °C12 mm Hg(lit.)
Dichte: 1.82 g/mL · 1.82 g/mL at 25 °C(lit.)
Brechungsindex: 20 · n20/D 1.476
Flammpunkt: 101 °C/10mm · 101°C/10mm
storage temp.: 20 °C · −20°C
Löslichkeit: Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
Aggregatzustand: Liquid
Farbe: Colorless to pale yellow
Wichte: 1.82 · 1.82
Wasserlöslichkeit: Reacts violently with waterMiscible with most organic solvents.
InChI: InChI=1S/Cl4O3P2/c1-8(2,5)7-9(3,4)6
InChIKey: CNTIXUGILVWVHR-UHFFFAOYSA-N
SMILES: P(Cl)(Cl)(OP(Cl)(Cl)=O)=O
CAS Datenbank: 13498 · 13498-14-1(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 55 reports by companies from 5 notifications to the ECHA C&L Inventory.

Gefahrenhinweise

Regulatory InformationStatus: Active Update: 03-10-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/23367

Hazard Classes and CategoriesSkin Corr. 1B (100%)

Sicherheitsdaten

F: 10-21
wgk: 3
ridadr: UN 3264 8/PG 2
hs_code: 28121049
risk_code: 14-34
hazard_code: C
safety_code: 26-36/37/39-45-60-30-23-20-8
hazard_class: 8
packing_group: II
Speicherklasse: 8A - Combustible corrosive hazardous materials
Hazard Classifications: Skin Corr. 1B

Chemie und Industrie

Anwendungen · 1 Eintrag

VerwendenPyrophosphoryl chloride serves as a reductive chlorination reagent used in the synthesis of quetiapine. It acts as a phosphorylating agent involved in nucleoside synthesis. It plays an important role in Vilsmeier formylation and glyoxylation reactions.