2,6-dibromonaphthalene

• ChemBase ID: 302444
• Molecular Formular: C10H6Br2
• Molecular Mass: 285.96264
• Monoisotopic Mass: 283.88362419
• SMILES: c1cc(cc2c1cc(cc2)Br)Br
• Canonical SMILES: Brc1ccc2c(c1)ccc(c2)Br
• InChI: InChI=1S/C10H6Br2/c11-9-3-1-7-5-10(12)4-2-8(7)6-9/h1-6H
• InChIKey: PJZDEYKZSZWFPX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-dibromonaphthalene
• IUPAC Traditional name: 2,6-dibromonaphthalene
• Synonyms: 2,6-Dibromonaphthalene; 2,6-dibromoNaphthalene; 2,6-二溴萘

Database IDs

• CAS Number: 13720-06-4
• EC Number: 000-000-0
• MDL Number: MFCD01026462

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.500228
• LogD (pH = 7.4): 4.500228
• Log P: 4.500228
• Molar Refractivity: 57.7538 cm^3
• Polarizability: 23.338373 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 162-167°C

Safety Information

• TSCA Listed: 否

Product Information

• Purity: 97%; 99%