vanadium(2+) ion bis(cyclopenta-2,4-dien-1-ide)

• ChemBase ID: 150232
• Molecular Formular: C10H10V
• Molecular Mass: 181.1279
• Monoisotopic Mass: 181.02220982
• SMILES: C1=C[CH-]C=C1.C1=C[CH-]C=C1.[V+2]
• Canonical SMILES: [CH-]1C=CC=C1.[CH-]1C=CC=C1.[V+2]
• InChI: InChI=1S/2C5H5.V/c2*1-2-4-5-3-1;/h2*1-5H;/q2*-1;+2
• InChIKey: YXQWGVLNDXNSJJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: vanadium(2+) ion bis(cyclopenta-2,4-dien-1-ide)
• IUPAC Traditional name: vanadium(2+) ion bis(cyclopentadienide)
• Synonyms: Bis(cyclopentadienyl)vanadium(II); 双(环戊二烯)钒(II)

Database IDs

• CAS Number: 1277-47-0
• MDL Number: MFCD00058735
• PubChem SID: 162244393; 24863620
• PubChem CID: 71311455

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

• Apperance: solid
• Melting Point: 165-167 °C(lit.)

Safety Information

• European Hazard Symbols: Flammable (F); Harmful (Xn)
• UN Number: 2926
• German water hazard class: 3
• Hazard Class: 4.1
• Packing Group: 3
• Risk Statements: 11-23/24/25-36/37/38
• Safety Statements: 16-26-28-36/37/39-45
• GHS Pictograms: GHS02; GHS06
• GHS Signal Word: Danger
• GHS Hazard statements: H228-H301-H311-H315-H319-H331-H335
• GHS Precautionary statements: P210-P261-P280-P301 + P310-P305 + P351 + P338-P311
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• RID/ADR: UN 2926 4.1/PG 3

Product Information

• Linear Formula: V(C5H5)2

DETAILS

Sigma Aldrich - 379158

Packaging
250 mg in glass bottle