8-bromoquinolin-4-ol

• ChemBase ID: 90505
• Molecular Formular: C9H6BrNO
• Molecular Mass: 224.05404
• Monoisotopic Mass: 222.96327582
• SMILES: n1c2c(c(cc1)O)cccc2Br
• Canonical SMILES: Oc1ccnc2c1cccc2Br
• InChI: InChI=1S/C9H6BrNO/c10-7-3-1-2-6-8(12)4-5-11-9(6)7/h1-5H,(H,11,12)
• InChIKey: HLALMUWUZUGIGR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-bromoquinolin-4-ol
• IUPAC Traditional name: 8-bromoquinolin-4-ol
• Synonyms: 8-Bromoquinolin-4-ol; 8-Bromo-4-hydroxyquinoline 95+%; 8-BROMO-4-HYDROXYQUINOLINE

Database IDs

• CAS Number: 57798-00-2
• PubChem SID: 162077302
• PubChem CID: 12403682

CALCULATED PROPERTIES

• Acid pKa: 10.483758
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.596006
• LogD (pH = 7.4): 2.595735
• Log P: 2.5960877
• Molar Refractivity: 49.583 cm^3
• Polarizability: 20.26662 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 168-171°C

Safety Information

• Storage Warning: Harmful/Irritant/Air Sensitive/Light Sensitive/Store under Argon

Product Information

• Purity: 98%