bis(benzonitrile); dichloroplatinum

• ChemBase ID: 148726
• Molecular Formular: C14H10Cl2N2Pt
• Molecular Mass: 472.2266
• Monoisotopic Mass: 470.98689469
• SMILES: c1ccc(cc1)C#N.c1ccc(cc1)C#N.Cl[Pt]Cl
• Canonical SMILES: N#Cc1ccccc1.N#Cc1ccccc1.Cl[Pt]Cl
• InChI: InChI=1S/2C7H5N.2ClH.Pt/c2*8-6-7-4-2-1-3-5-7;;;/h2*1-5H;2*1H;/q;;;;+2/p-2
• InChIKey: WAJRCRIROYMRKA-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(benzonitrile); dichloroplatinum
• IUPAC Traditional name: bis(benzonitrile); platinum(II) chloride
• Synonyms: cis-Bis(benzonitrile)dichloroplatinum(II); 顺-二(苯甲腈)二氯铂(II)

Database IDs

• CAS Number: 15617-19-3
• MDL Number: MFCD00013125
• PubChem SID: 24856673; 162242901
• PubChem CID: 6093685

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.829342
• LogD (pH = 7.4): 1.829342
• Log P: 1.829342
• Molar Refractivity: 31.7796 cm^3
• Polarizability: 12.177798 Å^3
• Polar Surface Area: 23.79 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 224 °C (dec.)(lit.)

Safety Information

• RTECS: TP2185000
• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: 98%
• Linear Formula: (C6H5CN)2PtCl2

DETAILS

Sigma Aldrich - 275816

Packaging
500 mg in glass bottle
Application
Catalyst for:
• Asymmetric hydroformylation reactions1
• Allylation reactions2
• Carbene insertion into O-H bonds of alcohols3
• Cyclopropanation reactions4
• Hydrosilylation reacttions5