(1S,7R)-tricyclo[5.2.1.02,6]deca-3,8-diene; dichloroplatinum

• ChemBase ID: 142877
• Molecular Formular: C10H12Cl2Pt
• Molecular Mass: 398.18628
• Monoisotopic Mass: 396.99639674
• SMILES: C1C=CC2C1[C@@H]1C[C@H]2C=C1.Cl[Pt]Cl
• Canonical SMILES: C1=CC2C(C1)[C@H]1C=C[C@@H]2C1.Cl[Pt]Cl
• InChI: InChI=1S/C10H12.2ClH.Pt/c1-2-9-7-4-5-8(6-7)10(9)3-1;;;/h1-2,4-5,7-10H,3,6H2;2*1H;/q;;;+2/p-2/t7-,8+,9?,10?;;;/m1.../s1
• InChIKey: WGIHWYYQPYXMJF-FNUOOURPSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: (1S,7R)-tricyclo[5.2.1.0^2,^6]deca-3,8-diene; dichloroplatinum
• IUPAC Traditional name: (1S,7R)-tricyclo[5.2.1.0^2,^6]deca-3,8-diene; platinum(II) chloride
• Synonyms: Dichloro(dicyclopentadienyl)platinum(II); 3a,4,7,7a-Tetrahydro-4,7-Methano-1H-indene; 3a,4,7,7a-Tetrahydro-4,7-methano-1H-indene, platinum complex; 4,7-Methano-1H-indene; Dichloro[(2,3,5,6-η)-3a,4,7,7a-tetrahydro-4,7-methano-1H-indene]-platinum; Platinum, dichloro(3a,4,7,7a-tetrahydro-4,7-methanoindene); 4,7-亚甲基-1H-茚; 二氯[(2,3,5,6-η)-3a,4,7,7a-四氢-4,7-亚甲基-1H-茚]-铂; 铂,二氯(3a,4,7,7a-四氢-4,7-亚甲基茚); 二氯(二环戊二烯)铂; 3a,4,7,7a-四氢-4,7-亚甲基-1H-茚,铂络合物; 3a,4,7,7a-四氢-4,7-亚甲基-1H-茚

Database IDs

• CAS Number: 12083-92-0
• MDL Number: MFCD00269838
• PubChem SID: 162237103
• PubChem CID: 71310810

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.1641932
• LogD (pH = 7.4): 2.1641932
• Log P: 2.1641932
• Molar Refractivity: 44.4292 cm^3
• Polarizability: 16.519753 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 220-222 °C

Safety Information

• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 97%
• Empirical Formula (Hill Notation): C10H12Cl2Pt

DETAILS

Sigma Aldrich - 701203

Packaging
1 g in glass bottle
250 mg in glass bottle