6,12-dibromochrysene

• ChemBase ID: 286939
• Molecular Formular: C18H10Br2
• Molecular Mass: 386.08
• Monoisotopic Mass: 383.91492432
• SMILES: Brc1cc2c3ccccc3c(Br)cc2c2ccccc12
• Canonical SMILES: Brc1cc2c3ccccc3c(cc2c2c1cccc2)Br
• InChI: InChI=1S/C18H10Br2/c19-17-10-16-12-6-2-4-8-14(12)18(20)9-15(16)11-5-1-3-7-13(11)17/h1-10H
• InChIKey: RULVBMDEPWAFIN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6,12-dibromochrysene
• IUPAC Traditional name: 6,12-dibromochrysene
• Synonyms: 6,12-Dibromochrysene; 6,12-Dibromochrysene

Database IDs

• CAS Number: 131222-99-6
• MDL Number: MFCD00092281
• PubChem SID: 180672470
• PubChem CID: 3286225

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 6.4791813
• LogD (pH = 7.4): 6.4791813
• Log P: 6.4791813
• Molar Refractivity: 90.6542 cm^3
• Polarizability: 38.134468 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• European Hazard Symbols: X
• Risk Statements: 22-53
• Safety Statements: 36-60-61
• TSCA Listed: 否
• GHS Pictograms: GHS06
• GHS Hazard statements: H301-H413
• GHS Precautionary statements: P273-P264-P301+P310-P321-P405-P501

Product Information

• Purity: 95+%; 97%; 99%