pentyllithium

• ChemBase ID: 135676
• Molecular Formular: C5H11Li
• Molecular Mass: 78.08184
• Monoisotopic Mass: 78.1020799
• SMILES: [Li]CCCCC
• Canonical SMILES: [Li]CCCCC
• InChI: InChI=1S/C5H11.Li/c1-3-5-4-2;/h1,3-5H2,2H3
• InChIKey: WXZIKFXSSPSWSR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: pentyllithium
• IUPAC Traditional name: pentyllithium
• Synonyms: Amyllithium; Pentyllithium solution; 戊基锂 溶液

Database IDs

• CAS Number: 3525-31-3
• MDL Number: MFCD15144756
• PubChem SID: 162229949
• PubChem CID: 10197615

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.8838
• LogD (pH = 7.4): 1.8838
• Log P: 1.8838
• Molar Refractivity: 23.9189 cm^3
• Polarizability: 11.170455 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: <-146.2 °F; <-99 °C
• Density: 0.708 g/mL at 25 °C

Safety Information

• European Hazard Symbols: Flammable (F); Toxic (T)
• UN Number: 3394
• German water hazard class: 3
• Hazard Class: 4.2
• Packing Group: 1
• Risk Statements: 45-46-11-14-17-35-65
• Safety Statements: 53-16-26-36/37/39-45-62
• GHS Pictograms: GHS02; GHS05; GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H304-H314-H340-H350
• GHS Precautionary statements: P201-P210-P280-P301 + P310-P305 + P351 + P338-P310
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 3394 4.2/PG 1

Product Information

• Concentration: 2.2 M in heptane; 25 % (w/w)
• Linear Formula: CH3(CH2)3CH2Li

DETAILS

Sigma Aldrich - 703494

Packaging
100, 800 mL in Sure/Seal™