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

• ChemBase ID: 139141
• Molecular Formular: C10H10IV
• Molecular Mass: 308.03237
• Monoisotopic Mass: 307.92668282
• SMILES: C1=C[CH-]C=C1.C1=C[CH-]C=C1.[V+2]I
• Canonical SMILES: [CH-]1C=CC=C1.[CH-]1C=CC=C1.I[V+2]
• InChI: InChI=1S/2C5H5.HI.V/c2*1-2-4-5-3-1;;/h2*1-5H;1H;/q2*-1;;+3/p-1
• InChIKey: FCTABVFGCLMAHL-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(cyclopenta-2,4-dien-1-ide); iodovanadiumbis(ylium)
• IUPAC Traditional name: bis(cyclopentadienide); iodovanadiumbis(ylium)
• Synonyms: Bis(cyclopentadienyl)vanadium(III) iodide; 双(环戊二烯基)碘化钒(III)

Database IDs

• CAS Number: 53291-02-4
• MDL Number: MFCD03701568
• PubChem SID: 24880339

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: >300 °C(lit.)

Safety Information

• European Hazard Symbols: Toxic (T)
• UN Number: 3285
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 3
• Risk Statements: 25-36/37/38
• Safety Statements: 26-36/37-45
• GHS Pictograms: GHS06
• GHS Signal Word: Danger
• GHS Hazard statements: H301-H315-H319-H335
• GHS Precautionary statements: P261-P301 + P310-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
• RID/ADR: UN 3285 6.1/PG 3

Product Information

• Linear Formula: (C5H5)2VI