2,3-dihydro-1,4-dioxine

• ChemBase ID: 297186
• Molecular Formular: C4H6O2
• Molecular Mass: 86.08924
• Monoisotopic Mass: 86.03677943
• SMILES: C1COC=CO1
• Canonical SMILES: C1COC=CO1
• InChI: InChI=1S/C4H6O2/c1-2-6-4-3-5-1/h1-2H,3-4H2
• InChIKey: HIZVCIIORGCREW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3-dihydro-1,4-dioxine
• IUPAC Traditional name: 1,4-dioxin, 2,3-dihydro-
• Synonyms: 2,3-Dihydro-1,4-dioxin; 1,4-Dioxene; 1,4-二氧六环

Database IDs

• CAS Number: 543-75-9
• MDL Number: MFCD00082537
• PubChem SID: 180682717
• PubChem CID: 136353

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.01988619
• LogD (pH = 7.4): -0.01988619
• Log P: -0.01988619
• Molar Refractivity: 21.4646 cm^3
• Polarizability: 8.536388 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 94-96°C
• Flash Point: 1°C(34°F)
• Density: 1.08
• Refractive Index: 1.437

Safety Information

• European Hazard Symbols: Flammable (F); Irritant (Xi)
• UN Number: UN1993
• Hazard Class: 3
• Packing Group: II
• Risk Statements: 11-36/37/38
• Safety Statements: 16-26-33-37
• TSCA Listed: 否
• GHS Pictograms: GHS02; GHS07
• GHS Hazard statements: H225-H315-H319-H335
• GHS Precautionary statements: P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A

Product Information

• Purity: 98%