2,5-dibromophenol

• ChemBase ID: 78402
• Molecular Formular: C6H4Br2O
• Molecular Mass: 251.90336
• Monoisotopic Mass: 249.86288875
• SMILES: Oc1c(ccc(c1)Br)Br
• Canonical SMILES: Brc1ccc(c(c1)O)Br
• InChI: InChI=1S/C6H4Br2O/c7-4-1-2-5(8)6(9)3-4/h1-3,9H
• InChIKey: GUXWVUVLXIJHQF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,5-dibromophenol
• IUPAC Traditional name: 2,5-dibromophenol
• Synonyms: 2,5-Dibromophenol; 2,5-Dibromo-1-hydroxybenzene; 2,5-Dibromophenol 96+%

Database IDs

• CAS Number: 28165-52-8
• MDL Number: MFCD01851373
• PubChem SID: 162043171
• PubChem CID: 34177

CALCULATED PROPERTIES

• Acid pKa: 7.498925
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.2028844
• LogD (pH = 7.4): 2.9552355
• Log P: 3.2071857
• Molar Refractivity: 43.2845 cm^3
• Polarizability: 16.910385 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant/Keep Cold

Product Information

• Purity: 95+%