4,10-dioxapentacyclo[6.3.1.0^{2,7}.0^{3,5}.0^{9,11}]dodecane

• ChemBase ID: 108877
• Molecular Formular: C10H12O2
• Molecular Mass: 164.20108
• Monoisotopic Mass: 164.08372962
• SMILES: C1C2OC2C2C1C1CC2C2OC12
• Canonical SMILES: O1C2C1C1C(C2)C2CC1C1C2O1
• InChI: InChI=1S/C10H12O2/c1-4-3-2-6-10(11-6)7(3)5(1)9-8(4)12-9/h3-10H,1-2H2
• InChIKey: BQQUFAMSJAKLNB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4,10-dioxapentacyclo[6.3.1.0^{2,7}.0^{3,5}.0^{9,11}]dodecane; 4,10-dioxapentacyclo[6.3.1.0^2,^7.0^3,^5.0^9,^1^1]dodecane
• IUPAC Traditional name: dicyclopentadiene dioxide
• Synonyms: DICYCLOPENTADIENE DIOXIDE; Dicyclopentadiene diepoxide; 二环戊二烯二环氧乙烷

Database IDs

• CAS Number: 81-21-0
• EC Number: 201-334-1
• MDL Number: MFCD00077209
• Beilstein Number: 112743
• PubChem SID: 162095622
• PubChem CID: 6673

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.52206063
• LogD (pH = 7.4): 0.52206063
• Log P: 0.52206063
• Molar Refractivity: 41.0068 cm^3
• Polarizability: 16.910316 Å^3
• Polar Surface Area: 25.06 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: ca 170°C dec
• Boiling Point: 120°C/10mm subl.
• Density: 1.331

Safety Information

• RTECS: PB9625200
• European Hazard Symbols: X
• UN Number: UN2811
• Hazard Class: 6.1
• Packing Group: III
• Risk Statements: 22
• Safety Statements: 36
• TSCA Listed: 是
• GHS Pictograms: GHS06
• GHS Hazard statements: H301
• GHS Precautionary statements: P280F-P309-P310

Product Information

• Purity: 99%

DETAILS

MP Biomedicals - 05209071

MP Biomedicals Rare Chemical collection