cyclopenta-2,4-dien-1-yllithium

• ChemBase ID: 151443
• Molecular Formular: C5H5Li
• Molecular Mass: 72.0342
• Monoisotopic Mass: 72.05512971
• SMILES: [Li]C1C=CC=C1
• Canonical SMILES: [Li]C1C=CC=C1
• InChI: InChI=1S/C5H5.Li/c1-2-4-5-3-1;/h1-5H
• InChIKey: JTVVTAXHEPEOQP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: cyclopenta-2,4-dien-1-yllithium
• IUPAC Traditional name: cyclopenta-2,4-dien-1-yllithium
• Synonyms: 1,3-Cyclopentadiene lithium complex; Lithium cyclopentadienide; Lithium cyclopentadienylide; Cyclopentadienyllithium; Cyclopentadienyllithium; Lithium cyclopentadienide; 环戊二烯基锂; 环戊二烯锂; 环戊二烯基锂

Database IDs

• CAS Number: 16733-97-4
• MDL Number: MFCD00001439
• Beilstein Number: 3535737
• PubChem SID: 162245596; 24858115
• PubChem CID: 3563366

CALCULATED PROPERTIES

• Acid pKa: 15.872237
• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 0.9856
• LogD (pH = 7.4): 0.9856
• Log P: 0.9856
• Molar Refractivity: 23.9859 cm^3
• Polarizability: 9.979708 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Powder

Safety Information

• Storage Warning: Air & Moisture Sensitive
• European Hazard Symbols: Corrosive (C); Flammable (F)
• UN Number: 3263; UN3180
• German water hazard class: 3
• Hazard Class: 4.1; 8
• Packing Group: 2; II
• Risk Statements: 11-34; 34
• Safety Statements: 20-26-36/37/39-45-60; 26-36/37/39-45
• TSCA Listed: 否
• GHS Pictograms: GHS02; GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H228-H314-H318; H314
• GHS Precautionary statements: P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A; P280-P305 + P351 + P338-P310
• 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 3263 8/PG 2

Product Information

• Purity: 97%
• Empirical Formula (Hill Notation): C5H5Li

DETAILS

Sigma Aldrich - 303348

Packaging
5, 25 g in glass bottle
Application
Useful reagent for the preparation of metallocenes and cyclopentadienyl derivatives.