bis(acetonitrile); dichloroplatinum

• ChemBase ID: 148275
• Molecular Formular: C4H6Cl2N2Pt
• Molecular Mass: 348.08784
• Monoisotopic Mass: 346.95559456
• SMILES: CC#N.CC#N.Cl[Pt]Cl
• Canonical SMILES: CC#N.CC#N.Cl[Pt]Cl
• InChI: InChI=1S/2C2H3N.2ClH.Pt/c2*1-2-3;;;/h2*1H3;2*1H;/q;;;;+2/p-2
• InChIKey: NSWGBUVHSQEDRN-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(acetonitrile); dichloroplatinum
• IUPAC Traditional name: bis(acetonitrile); platinum(II) chloride
• Synonyms: Bis(acetonitrile)platinum dichloride; Bis(acetonitrile)platinum(II) chloride; Dichlorobis(acetonitrile)platinum; cis-Bis(acetonitrile)dichloroplatinum(II); 顺式-双(乙腈)二氯铂(II)

Database IDs

• CAS Number: 13869-38-0
• EC Number: 237-619-2
• MDL Number: MFCD00013124
• PubChem SID: 162242451; 24856750
• PubChem CID: 6102105

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -0.16539685
• LogD (pH = 7.4): -0.16539685
• Log P: -0.16539685
• Molar Refractivity: 11.623 cm^3
• Polarizability: 4.2592 Å^3
• Polar Surface Area: 23.79 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 20/21/22
• Safety Statements: 22-26-28-36/37/39-38
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302 + H312 + H332
• GHS Precautionary statements: P280
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Linear Formula: (CH3CN)2PtCl2

DETAILS

Sigma Aldrich - 277290

Packaging
1 g in glass bottle