sodium cyclopenta-2,4-dien-1-ide

• ChemBase ID: 129516
• Molecular Formular: C5H5Na
• Molecular Mass: 88.08297
• Monoisotopic Mass: 88.02889444
• SMILES: [Na+].C1=CC=C[CH-]1
• Canonical SMILES: [CH-]1C=CC=C1.[Na+]
• InChI: InChI=1S/C5H5.Na/c1-2-4-5-3-1;/h1-5H;/q-1;+1
• InChIKey: OHUVHDUNQKJDKW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: sodium cyclopenta-2,4-dien-1-ide
• IUPAC Traditional name: sodium cyclopentadienide
• Synonyms: Sodium cyclopentadienide, 2-3M in THF; sodium cyclopentadienylide; cyclopentadienylsodium; Sodium cyclopentadienide; 环戊二烯钠, 2-3M THF溶液

Database IDs

• CAS Number: 4984-82-1
• EC Number: 225-636-8
• MDL Number: MFCD00012161
• PubChem SID: 162223808
• PubChem CID: 78681
• Chemspider ID: 71032
• Wikipedia Title: Sodium_cyclopentadienide

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

• Solubility: decomposition in water; THF
• Apperance: colorless solid; Liquid
• Flash Point: -17°C(1°F)
• Density: 0.938

Safety Information

• Storage Warning: Air & Moisture Sensitive
• European Hazard Symbols: Corrosive (C); Flammable (F)
• UN Number: UN3399
• Hazard Class: 4.3
• Packing Group: II
• Risk Statements: 11-14-35
• Safety Statements: 8-16-26-30-36/37/39-43-45
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS05
• GHS Hazard statements: H224-H261-H314-H318
• GHS Precautionary statements: P210-P231+P232-P303+P361+P353-P305+P351+P338-P405-P501A

Product Information

• Concentration: 2-3M in THF