Grundinformationen
- Standard-SMILES
[Cl][Ni][Cl].c1ccc(P(CCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1- InChIKey
ZBQUMMFUJLOTQC-UHFFFAOYSA-L- Summenformel
- C27H26Cl2NiP2
- Durchschnittliche Molmasse
- 542 g/mol
- Monoisotopische Masse
- 540,024022
Namen und Bezeichner
- Bevorzugter Name
- Dichloro(1,1'-(1,3-propanediyl)bis(1,1-diphenylphosphine-kappaP))nickel
- IUPAC
- dichloronickel;3-diphenylphosphanylpropyl(diphenyl)phosphane
- Englischer Name
- [1,3-Bis(diphenylphosphino)propane]nickel(II) chloride
- Summenformel
- C27H26Cl2NiP2
- Molmasse
- 542.04
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
15629-92-2- PubChem CID
- 2724937
- EC Number
- 605-052-3
Eigenschaften
Berechnete Struktureigenschaften
- Polarare Oberfläche (TPSA)
- 0 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 0
- Frei drehbare Bindungen
- 8
- Schwere Atome
- 32
- Formalladung
- 0
- Komplexität
- 353
Physikochemische Eigenschaften
- Schmelzpunkt
- 213 °C · 213 °C (dec.)(lit.)
- storage temp.
- Inert atmosphere,Room Temperature
- Aggregatzustand
- crystal
- Farbe
- red
- Wasserlöslichkeit
- insoluble
- InChI
- InChI=1S/C27H26P2.2ClH.Ni/c1-5-14-24(15-6-1)28(25-16-7-2-8-17-25)22-13-23-29(26-18-9-3-10-19-26)27-20-11-4-12-21-27;;;/h1-12,14-21H,13,22-23H2;2*1H;/q;;;+2/p-2
- InChIKey
- ZBQUMMFUJLOTQC-UHFFFAOYSA-L
- SMILES
- P(C1=CC=CC=C1)(CCCP(C1C=CC=CC=1)C1C=CC=CC=1)C1C=CC=CC=1.[Ni](Cl)Cl
- CAS Datenbank
- 15629 · 15629-92-2(CAS DataBase Reference)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H315 (99.2%): Causes skin irritation [Warning Skin corrosion/irritation];H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin];H319 (99.2%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H334 (34.7%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory];H335 (98.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation];H350 (92.6%): May cause cancer [Danger Carcinogenicity]
P203, P233, P260, P261, P264, P264+P265, P271, P272, P280, P284, P302+P352, P304+P340, P305+P351+P338, P318, P319, P321, P332+P317, P333+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 121 reports by companies from 9 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.
Gefahrenhinweise
Regulatorische Informationen
Sicherheitsdaten
- F
- 10-21
- wgk
- 3
- tsca
- No
- ridadr
- 3282
- hs_code
- 29319090
- risk_code
- 49-36/37/38-42/43-40
- hazard_code
- T,Xn
- safety_code
- 53-26-36/37/39-45-24-22
- Speicherklasse
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard Classifications
- Carc. 1AEye Irrit. 2Resp. Sens. 1Skin Irrit. 2Skin Sens. 1STOT SE 3
Chemie und Industrie
Anwendungen
Verwenden[1,3-Bis(diphenylphosphino)propane]nickel(II) chloride is used as an effective catalyst for Kumada coupling and Suzuki reactions. It also catalyzes other reactions to convert enol ethers, dithioacetals and vinyl sulfides to olefins. Further, it is used as a catalyst for preparation of block-copolythiophenes and solid state metathesis polycondensation.
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