1,5-dibromonaphthalene

• ChemBase ID: 77920
• Molecular Formular: C10H6Br2
• Molecular Mass: 285.96264
• Monoisotopic Mass: 283.88362419
• SMILES: Brc1cccc2c(cccc12)Br
• Canonical SMILES: Brc1cccc2c1cccc2Br
• InChI: InChI=1S/C10H6Br2/c11-9-5-1-3-7-8(9)4-2-6-10(7)12/h1-6H
• InChIKey: CZYAFTZIQWCKOI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,5-dibromonaphthalene
• IUPAC Traditional name: 1,5-dibromonaphthalene
• Synonyms: 1,5-dibromoNaphthalene; 1,5-Dibromonaphthalene 98%

Database IDs

• CAS Number: 7351-74-8
• MDL Number: MFCD00089984
• PubChem SID: 162042761
• PubChem CID: 637960

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: 23.345177 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 130-130.5°C

Safety Information

• Storage Warning: Irritant

Product Information

• Purity: 97%