2,3-dibromonaphthalene

• ChemBase ID: 15947
• Molecular Formular: C10H6Br2
• Molecular Mass: 285.96264
• Monoisotopic Mass: 283.88362419
• SMILES: Brc1cc2ccccc2cc1Br
• Canonical SMILES: Brc1cc2ccccc2cc1Br
• InChI: InChI=1S/C10H6Br2/c11-9-5-7-3-1-2-4-8(7)6-10(9)12/h1-6H
• InChIKey: GTILXPRQNNYDHT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3-dibromonaphthalene
• IUPAC Traditional name: 2,3-dibromonaphthalene
• Synonyms: 2,3-Dibromonaphthalene

Database IDs

• CAS Number: 13214-70-5
• MDL Number: MFCD00021589
• PubChem SID: 160979254
• PubChem CID: 123298

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: 23.344046 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 97%; 98%