(2H4)furan

• ChemBase ID: 138581
• Molecular Formular: C4H4O
• Molecular Mass: 68.07396
• Monoisotopic Mass: 68.02621475
• SMILES: c1ccoc1
• Canonical SMILES: c1ccco1
• InChI: InChI=1S/C4H4O/c1-2-4-5-3-1/h1-4H
• InChIKey: YLQBMQCUIZJEEH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (^2H₄)furan
• IUPAC Traditional name: (^2H₄)furan
• Synonyms: Furan-d4; Furan-2,3,4,5-d4; Perdeuteriofuran; Tetradeuteriofuran; Furan-d4; 呋喃-d4

Database IDs

• CAS Number: 6142-90-1
• MDL Number: MFCD00075149
• PubChem SID: 24860571; 162232834
• PubChem CID: 2733420

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.1134913
• LogD (pH = 7.4): 1.1134913
• Log P: 1.1134913
• Molar Refractivity: 18.5714 cm^3
• Polarizability: 7.218344 Å^3
• Polar Surface Area: 13.14 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 32 °C/758 mmHg(lit.)
• Flash Point: -32.8 °F; -36 °C
• Density: 0.991 g/mL at 25 °C
• Refractive Index: n20/D 1.4202(lit.)
• Vapor Pressure: 9.63 psi ( 20 °C)
• Mass Shift: M+4

Safety Information

• European Hazard Symbols: Highly flammable (F+); Toxic (T)
• UN Number: 2389
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 1
• Risk Statements: 45-12-19-20/22-38-48/22-52/53-68
• Safety Statements: 53-45-61
• GHS Pictograms: GHS02; GHS07; GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H224-H302 + H332-H315-H341-H350-H373-H412
• GHS Precautionary statements: P201-P210-P273-P281-P308 + P313
• RID/ADR: UN 2389 3/PG 1
• Supplemental Hazard Statements: May form explosive peroxides.

Product Information

• Isotopic Purity: 98 atom % D
• Contains: 0.025 wt. % BHT as stabilizer
• Mol. Weight: mol wt 72.02 by atom % calculation
• Empirical Formula (Hill Notation): C4D4O

DETAILS

Sigma Aldrich - 338753

Packaging
1, 5 g in glass bottle
This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.

Toronto Research Chemicals - F863652

The labelled analogue of Furan, a five-membered heterocyclic aromatic ring. Furan is used as a building block for the preparation of many heterocyclic compounds.

REFERENCES

• Wilson, W.C.: Org. Synth., 1, 274 (1941)