2-(thiophen-2-yl)furan

• ChemBase ID: 139399
• Molecular Formular: C8H6OS
• Molecular Mass: 150.19764
• Monoisotopic Mass: 150.01393581
• SMILES: c1cc(oc1)c1cccs1
• Canonical SMILES: c1coc(c1)c1cccs1
• InChI: InChI=1S/C8H6OS/c1-3-7(9-5-1)8-4-2-6-10-8/h1-6H
• InChIKey: RVYKTPRETIBSPK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(thiophen-2-yl)furan
• IUPAC Traditional name: 2-(thiophen-2-yl)furan
• Synonyms: 2-(2-Thienyl)furan; 2-(2-噻吩基)呋喃

Database IDs

• CAS Number: 27521-80-8
• MDL Number: MFCD05664273
• PubChem SID: 162233647; 24881298
• PubChem CID: 526176

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.457866
• LogD (pH = 7.4): 2.457866
• Log P: 2.457866
• Molar Refractivity: 40.475 cm^3
• Polarizability: 16.814035 Å^3
• Polar Surface Area: 13.14 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 209 °C(lit.)
• Flash Point: 197.6 °F; 92 °C
• Density: 1.192 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.6210(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: 97%
• Empirical Formula (Hill Notation): C8H6OS

DETAILS

Sigma Aldrich - 590770

Packaging
1 g in glass bottle