(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)potassium

• ChemBase ID: 136931
• Molecular Formular: C9H13K
• Molecular Mass: 160.29782
• Monoisotopic Mass: 160.0654321
• SMILES: CC1=C(C(=C(C1[K])C)C)C
• Canonical SMILES: [K]C1C(=C(C(=C1C)C)C)C
• InChI: InChI=1S/C9H13.K/c1-6-5-7(2)9(4)8(6)3;/h5H,1-4H3
• InChIKey: IHPOCLHVUSDUSE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)potassium
• IUPAC Traditional name: (2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)potassium
• Synonyms: Potassium tetramethylcyclopentadienide; 四甲基环戊二烯钾

Database IDs

• CAS Number: 150239-39-7
• MDL Number: MFCD00799576
• PubChem SID: 24869983; 162231198
• PubChem CID: 15897273

CALCULATED PROPERTIES

• Acid pKa: 15.976622
• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.7992
• LogD (pH = 7.4): 1.7992
• Log P: 1.7992
• Molar Refractivity: 41.1139 cm^3
• Polarizability: 18.25966 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: >240 °C(lit.)

Safety Information

• European Hazard Symbols: Flammable (F)
• UN Number: 3393
• German water hazard class: 3
• Hazard Class: 4.2
• Packing Group: 1
• Risk Statements: 17
• Safety Statements: 6-16-24-36/37/39
• GHS Pictograms: GHS02
• GHS Signal Word: Danger
• GHS Hazard statements: H250-H261
• GHS Precautionary statements: P222-P231 + P232-P422
• Personal Protective Equipment: 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 3393 4.2/PG 1

Product Information

• Empirical Formula (Hill Notation): C9H13K

DETAILS

Sigma Aldrich - 462543

Packaging
1, 5 g in glass bottle