Grundinformationen
- Standard-SMILES
c1ccc(P(CCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1- InChIKey
QFMZQPDHXULLKC-UHFFFAOYSA-N- Summenformel
- C26H24P2
- Durchschnittliche Molmasse
- 398,4 g/mol
- Monoisotopische Masse
- 398,13532403
Überblick
1,2-bis(diphenylphosphino)ethane is a tertiary phosphine and a member of diphosphanes. It has a role as an allergen.
Namen und Bezeichner
- Bevorzugter Name
- 1,2-Bis(diphenylphosphino)ethane
- IUPAC
- 2-diphenylphosphanylethyl(diphenyl)phosphane
- Lokaler Name
- Bis(1,2-diphenylphosphino)ethan
- Englischer Name
- 1,2-Bis(diphenylphosphino)ethane
- Summenformel
- C26H24P2
- Molmasse
- 398.42
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
1663-45-2- PubChem CID
- 74267
- DTXSID
DTXSID2061858- ChEMBL
CHEMBL68683- ChEBI
CHEBI:30669- UNII
- KL33QE52I4
- EC Number
- 216-769-2
- Nikkaji
- J126.072C
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 5,9
- Polarare Oberfläche (TPSA)
- 0 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 0
- Frei drehbare Bindungen
- 7
- Schwere Atome
- 28
- Formalladung
- 0
- Komplexität
- 336
Experimentelle und physikochemische Eigenschaften
Physikochemische Eigenschaften
- Schmelzpunkt
- 137 · 137-142 °C (lit.)
- Siedepunkt
- 514.8 · 514.8±33.0 °C(Predicted)
- storage temp.
- Inert atmosphere,Room Temperature
- Löslichkeit
- Soluble in acetone, methanol and alcoholic hydrochloric acid.
- Aggregatzustand
- Crystalline Powder or Crystals
- Farbe
- White to off-white
- BRN
- 761261 · 761261
- Stabilität
- Stable. Combustible. Incompatible with strong oxidizing agents. May be air-sensitive.
- InChI
- InChI=1S/C26H24P2/c1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)21-22-28(25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-20H,21-22H2
- InChIKey
- QFMZQPDHXULLKC-UHFFFAOYSA-N
- SMILES
- C1C=CC=CC=1P(CCP(C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=CC=C1
- CAS Datenbank
- 1663 · 1663-45-2(CAS DataBase Reference)
- NIST chemische Informationen
- 1 · Phosphine, 1,2-ethanediylbis[diphenyl-(1663-45-2)
- EPA chemische Informationen
- 1 · Phosphine, 1,2-ethanediylbis[diphenyl- (1663-45-2)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H315 (84.6%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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 13 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Chemical: Phosphine, 1,2-ethanediylbis[diphenyl-
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Sicherheitsdaten
- F
- 9
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29310095
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 22-24/25-37/39-26-36
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- STOT SE 3
Chemie und Industrie
Verwendung und Herstellung
Anwendungen
Verwenden1,2-Bis(diphenylphosphino)ethane is a bidendate ligand used in coordination chemistry to prepare metal complexes. It is involved in the metal-catalyzed allylic alkylation and decarboxylation of allylic esters. It is also used in 1,3-diene synthesis. Further, it is used in cycloaddition reactions and carbonylation reactions. In addition to this, it is used to prepare bis(dicyclohexylphosphino)ethane by hydrogenation.
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