(2,4-dibromophenyl)methanol

• ChemBase ID: 79286
• Molecular Formular: C7H6Br2O
• Molecular Mass: 265.92994
• Monoisotopic Mass: 263.87853881
• SMILES: OCc1c(cc(cc1)Br)Br
• Canonical SMILES: OCc1ccc(cc1Br)Br
• InChI: InChI=1S/C7H6Br2O/c8-6-2-1-5(4-10)7(9)3-6/h1-3,10H,4H2
• InChIKey: VXEVXBMLHQPKGA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2,4-dibromophenyl)methanol
• IUPAC Traditional name: (2,4-dibromophenyl)methanol
• Synonyms: (2,4-Dibromophenyl)methanol; 2,4-Dibromobenzyl alcohol; (2,4-DibroMophenyl)Methanol

Database IDs

• CAS Number: 666747-06-4
• MDL Number: MFCD09996906
• PubChem SID: 162044049
• PubChem CID: 17836195

CALCULATED PROPERTIES

• Acid pKa: 14.755232
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.7434013
• LogD (pH = 7.4): 2.7434013
• Log P: 2.7434013
• Molar Refractivity: 48.1195 cm^3
• Polarizability: 18.681625 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Harmful/Irritant/Light Sensitive

Product Information

• Purity: 97%