1,17-dibromo-3,6,9,12,15-pentaoxaheptadecane

• ChemBase ID: 176321
• Molecular Formular: C12H24Br2O5
• Molecular Mass: 408.12396
• Monoisotopic Mass: 405.99904787
• SMILES: BrCCOCCOCCOCCOCCOCCBr
• Canonical SMILES: BrCCOCCOCCOCCOCCOCCBr
• InChI: InChI=1S/C12H24Br2O5/c13-1-3-15-5-7-17-9-11-19-12-10-18-8-6-16-4-2-14/h1-12H2
• InChIKey: LACSKPODWQXGSB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,17-dibromo-3,6,9,12,15-pentaoxaheptadecane
• IUPAC Traditional name: 1,17-dibromo-3,6,9,12,15-pentaoxaheptadecane
• Synonyms: 1,17-Dibromo-3,6,9,12,15-pentaoxaheptadecane; 3,6,9,12,15-Pentaoxaheptadecane-1,17-diyl Bis-bromide

Database IDs

• CAS Number: 67705-77-5
• PubChem SID: 164232231
• PubChem CID: 10047008

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.6366177
• LogD (pH = 7.4): 1.6366177
• Log P: 1.6366177
• Molar Refractivity: 81.8401 cm^3
• Polarizability: 32.11975 Å^3
• Polar Surface Area: 46.15 Å^2
• Rotatable Bonds: 16
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Acetone; Dichloromethane; Ethyl Acetate; Methanol
• Apperance: Clear Colourless Oil
• Boiling Point: 175°C/0.1 mm

Safety Information

• Storage Condition: Refrigerator
• Storage Warning: Moisture Sensitive

DETAILS

Toronto Research Chemicals - P273740

A cross-linking reagent.