2-amino-6-bromophenol

• ChemBase ID: 92913
• Molecular Formular: C6H6BrNO
• Molecular Mass: 188.02194
• Monoisotopic Mass: 186.96327582
• SMILES: Oc1c(cccc1Br)N
• Canonical SMILES: Oc1c(N)cccc1Br
• InChI: InChI=1S/C6H6BrNO/c7-4-2-1-3-5(8)6(4)9/h1-3,9H,8H2
• InChIKey: LOBRHADLNRMHOO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-6-bromophenol
• IUPAC Traditional name: 2-amino-6-bromophenol
• Synonyms: 2-Amino-6-bromophenol; 2-Bromo-6-aminophenol; 3-Bromo-2-hydroxyaniline; 2-Amino-6-bromophenol 97%

Database IDs

• CAS Number: 28165-50-6
• MDL Number: MFCD08277300
• PubChem SID: 162079611
• PubChem CID: 15531506

CALCULATED PROPERTIES

• Acid pKa: 8.997499
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.6026837
• LogD (pH = 7.4): 1.5984726
• Log P: 1.6095072
• Molar Refractivity: 40.3621 cm^3
• Polarizability: 14.96648 Å^3
• Polar Surface Area: 46.25 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 83-85°C

Safety Information

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

Product Information

• Purity: 95+%; 98%