2-lithiothiophene

• ChemBase ID: 149599
• Molecular Formular: C4H3LiS
• Molecular Mass: 90.07262
• Monoisotopic Mass: 90.01155065
• SMILES: [Li]c1cccs1
• Canonical SMILES: [Li]c1cccs1
• InChI: InChI=1S/C4H3S.Li/c1-2-4-5-3-1;/h1-3H
• InChIKey: LNMZIBGBEOKNEI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-lithiothiophene
• IUPAC Traditional name: 2-lithiothiophene
• Synonyms: 2-Thienyllithium solution; 2-噻吩基锂 溶液

Database IDs

• CAS Number: 2786-07-4
• MDL Number: MFCD00074987
• PubChem SID: 24860050; 162243762
• PubChem CID: 76028

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.1961
• LogD (pH = 7.4): 1.1961
• Log P: 1.1961
• Molar Refractivity: 21.74 cm^3
• Polarizability: 10.11073 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: -22 °F; -30 °C
• Density: 0.829 g/mL at 25 °C

Safety Information

• European Hazard Symbols: Flammable (F); Nature polluting (N); Harmful (Xn)
• UN Number: 3399
• German water hazard class: 3
• Hazard Class: 4.3
• Packing Group: 2
• Risk Statements: 11-14-19-36/37/38-48/20-51/53-62-65-67
• Safety Statements: 16-26-36/37-61-62
• GHS Pictograms: GHS02; GHS05; GHS07; GHS08; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H304-H314-H332-H335-H336-H361-H373-H411
• GHS Precautionary statements: P210-P261-P273-P280-P301 + P310-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 3399 4.3/PG 2
• Supplemental Hazard Statements: May form explosive peroxides., Reacts violently with water.

Product Information

• Concentration: 1.0 M in THF/hexanes
• Empirical Formula (Hill Notation): C4H3LiS

DETAILS

Sigma Aldrich - 332747

Packaging
100, 800 mL in Sure/Seal™