cyclopenta-2,4-dien-1-ylsodium

• ChemBase ID: 140645
• Molecular Formular: C5H5Na
• Molecular Mass: 88.08297
• Monoisotopic Mass: 88.02889444
• SMILES: C1=CC(C=C1)[Na]
• Canonical SMILES: [Na]C1C=CC=C1
• InChI: InChI=1S/C5H5.Na/c1-2-4-5-3-1;/h1-5H
• InChIKey: PDTZVKVFAJGNRV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: cyclopenta-2,4-dien-1-ylsodium
• IUPAC Traditional name: cyclopenta-2,4-dien-1-ylsodium
• Synonyms: Cyclopentadienylsodium solution; Sodium cyclopentadienylide; Cyclopentadienylsodium solution; 环戊二烯基钠 溶液; 环戊二烯化钠; 环戊二烯基钠 溶液

Database IDs

• CAS Number: 4984-82-1
• MDL Number: MFCD00012161
• Beilstein Number: 969542
• PubChem SID: 162234886; 24858317; 24857872
• PubChem CID: 78681

CALCULATED PROPERTIES

• Acid pKa: 15.872237
• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.1856
• LogD (pH = 7.4): 1.1856
• Log P: 1.1856
• Molar Refractivity: 23.9859 cm^3
• Polarizability: 10.390723 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: dark red
• Flash Point: 1.4 °F; -17 °C
• Density: 0.938 g/mL at 25 °C; 0.946 g/mL at 20 °C

Safety Information

• European Hazard Symbols: Corrosive (C); Flammable (F)
• UN Number: 1993
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 2
• Risk Statements: 11-14/15-19-34-37
• Safety Statements: 16-26-36/37/39-43-45
• GHS Pictograms: GHS02; GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H260-H314-H335
• GHS Precautionary statements: P210-P223-P231 + P232-P261-P370 + P378-P422
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1993 3/PG 2
• Supplemental Hazard Statements: May form explosive peroxides.
• Storage Temperature: 2-8°C

Product Information

• Concentration: ~2 M in THF; 2.0 M in THF
• Grade: technical
• Empirical Formula (Hill Notation): C5H5Na

DETAILS

Sigma Aldrich - 304026

Packaging
100, 800 mL in Sure/Seal™
Preparation Note
Used to prepare Cp-cobaltacycles from diphenylphosphinoalkynes and CoCl(PPh3)3.1
Useful reagent for the preparation of metallocenes and cyclopentadienyl metal complexes.