chloro(hydrido)tungsteniumylium; bis(cyclopenta-2,4-dien-1-ide)

• ChemBase ID: 151429
• Molecular Formular: C10H10ClW
• Molecular Mass: 349.4794
• Monoisotopic Mass: 348.998034
• SMILES: C1=C[CH-]C=C1.C1=C[CH-]C=C1.Cl[W+2]
• Canonical SMILES: [CH-]1C=CC=C1.[CH-]1C=CC=C1.Cl[W+2]
• InChI: InChI=1S/2C5H5.ClH.W/c2*1-2-4-5-3-1;;/h2*1-5H;1H;/q2*-1;;+3/p-1
• InChIKey: ZOGWIEXRMWXNEN-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: chloro(hydrido)tungsteniumylium; bis(cyclopenta-2,4-dien-1-ide)
• IUPAC Traditional name: chloro(hydrido)tungsteniumylium; bis(cyclopentadienide)
• Synonyms: Bis(cyclopentadienyl)tungsten(IV) chloride hydride; 双(环戊二烯基)氢氯化钨(IV)

Database IDs

• CAS Number: 51177-12-9
• MDL Number: MFCD04126435
• PubChem SID: 24873647

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: 195 °C (dec.)(lit.)

Safety Information

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

Product Information

• Empirical Formula (Hill Notation): C10H11ClW

DETAILS

Sigma Aldrich - 512605

Packaging
1 g in glass bottle