2,5-dihydrofuran

• ChemBase ID: 89843
• Molecular Formular: C4H6O
• Molecular Mass: 70.08984
• Monoisotopic Mass: 70.04186481
• SMILES: O1CC=CC1
• Canonical SMILES: O1CC=CC1
• InChI: InChI=1S/C4H6O/c1-2-4-5-3-1/h1-2H,3-4H2
• InChIKey: ARGCQEVBJHPOGB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,5-dihydrofuran
• IUPAC Traditional name: 2,5-dihydrofuran
• Synonyms: 2,5-Dihydrofuran; 2,5-Dihydrofuran; 2,5-二氢呋喃

Database IDs

• CAS Number: 1708-29-8
• EC Number: 216-957-4
• MDL Number: MFCD00003219
• Beilstein Number: 103174
• PubChem SID: 162076698; 24855299
• PubChem CID: 15570
• CHEMBL: 117135
• Chemspider ID: 14813
• Wikipedia Title: 2,5-Dihydrofuran

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.48024017
• LogD (pH = 7.4): 0.48024017
• Log P: 0.48024017
• Molar Refractivity: 21.3621 cm^3
• Polarizability: 7.817887 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -86°C
• Boiling Point: 66-67 °C(lit.); 66-67°C; 67.4°C (source)
• Flash Point: 1 °C; 33.8 °F
• Density: 0.927 g/mL at 25 °C(lit.); 0.9461 g cm^−3
• Refractive Index: n20/D 1.431(lit.)

Safety Information

• RTECS: LU0660000
• European Hazard Symbols: Flammable (F)
• UN Number: 3271
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 2
• Risk Statements: 11-19
• Safety Statements: 9-16-33
• GHS Pictograms: GHS02
• GHS Signal Word: Danger
• GHS Hazard statements: H225
• GHS Precautionary statements: P210
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 3271 3/PG 2
• Supplemental Hazard Statements: May form explosive peroxides.

Product Information

• Purity: 97%
• Empirical Formula (Hill Notation): C4H6O

DETAILS

Sigma Aldrich - 253170

Packaging
25, 100 g in glass bottle