bis(cyclopenta-2,4-dien-1-ide); dichlorotungstenbis(ylium)

• ChemBase ID: 145230
• Molecular Formular: C10H10Cl2W
• Molecular Mass: 384.9324
• Monoisotopic Mass: 383.96688668
• SMILES: C1=C[CH-]C=C1.C1=C[CH-]C=C1.Cl[W+2]Cl
• Canonical SMILES: [CH-]1C=CC=C1.[CH-]1C=CC=C1.Cl[W+2]Cl
• InChI: InChI=1S/2C5H5.2ClH.W/c2*1-2-4-5-3-1;;;/h2*1-5H;2*1H;/q2*-1;;;+4/p-2
• InChIKey: OXTOYTDNVXFEKX-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(cyclopenta-2,4-dien-1-ide); dichlorotungstenbis(ylium)
• IUPAC Traditional name: bis(cyclopentadienide); dichlorotungstenbis(ylium)
• Synonyms: Bis(cyclopentadienyl)tungsten(IV) dichloride; 双(环戊二烯)二氯化钨(IV)

Database IDs

• CAS Number: 12184-26-8
• MDL Number: MFCD00269852
• PubChem SID: 24871096

CALCULATED PROPERTIES

• Acid pKa: 16.226988
• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.499
• LogD (pH = 7.4): 1.499
• Log P: 2.248
• Molar Refractivity: 21.715 cm^3
• Polarizability: 8.791516 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: >350 °C(lit.)

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• Storage Temperature: -20°C

Product Information

• Purity: 97%
• Empirical Formula (Hill Notation): C10H10Cl2W

DETAILS

Sigma Aldrich - 475211

Packaging
1 g in glass bottle