bis(1H-inden-1-yl)(iodo)vanadium

• ChemBase ID: 152921
• Molecular Formular: C18H14IV
• Molecular Mass: 408.14973
• Monoisotopic Mass: 407.95798295
• SMILES: c1ccc2c(c1)C=CC2[V](C1C=Cc2c1cccc2)I
• Canonical SMILES: I[V](C1C=Cc2c1cccc2)C1C=Cc2c1cccc2
• InChI: InChI=1S/2C9H7.HI.V/c2*1-2-5-9-7-3-6-8(9)4-1;;/h2*1-7H;1H;/q;;;+1/p-1
• InChIKey: PAIIOIYTKDHMHA-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(1H-inden-1-yl)(iodo)vanadium
• IUPAC Traditional name: bis(1H-inden-1-yl)(iodo)vanadium
• Synonyms: Iodobis(indenyl)vanadium(III); 双(茚基)钒(III)碘

Database IDs

• CAS Number: 108150-19-2
• MDL Number: MFCD04039930
• PubChem SID: 24880725

CALCULATED PROPERTIES

• Acid pKa: 16.761112
• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.5604
• LogD (pH = 7.4): 5.5604
• Log P: 5.5604
• Molar Refractivity: 91.1018 cm^3
• Polarizability: 37.07872 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: false

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: 23/24/25-36/37/38
• Safety Statements: 26-36/37/39-45
• GHS Pictograms: GHS06
• GHS Signal Word: Danger
• GHS Hazard statements: H301-H311-H315-H319-H331-H335
• GHS Precautionary statements: P261-P280-P301 + P310-P305 + P351 + P338-P311
• Personal Protective Equipment: Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
• RID/ADR: UN 3285 6.1/PG 3

Product Information

• Empirical Formula (Hill Notation): C18H14IV

DETAILS

Sigma Aldrich - 574333

Packaging
1, 5 g in ampule