2-amino-5-bromophenol

• ChemBase ID: 68756
• Molecular Formular: C6H6BrNO
• Molecular Mass: 188.02194
• Monoisotopic Mass: 186.96327582
• SMILES: c1(c(ccc(c1)Br)N)O
• Canonical SMILES: Brc1ccc(c(c1)O)N
• InChI: InChI=1S/C6H6BrNO/c7-4-1-2-5(8)6(9)3-4/h1-3,9H,8H2
• InChIKey: DRQWUAAWZFIVTF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-5-bromophenol
• IUPAC Traditional name: 2-amino-5-bromophenol
• Synonyms: 2-Amino-5-bromophenol; 4-Bromo-2-hydroxyaniline; 2-Amino-5-bromophenol 99%

Database IDs

• CAS Number: 38191-34-3
• MDL Number: MFCD03095028
• PubChem SID: 162034486
• PubChem CID: 14320605

CALCULATED PROPERTIES

• Acid pKa: 9.650258
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.5994192
• LogD (pH = 7.4): 1.6068903
• Log P: 1.6095072
• Molar Refractivity: 40.3621 cm^3
• Polarizability: 14.9595995 Å^3
• Polar Surface Area: 46.25 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 135-140(dec.)°C; 138 - 140°C
• Hydrophobicity(logP): 1.862

Safety Information

• Storage Warning: IRRITANT; Irritant/Store under Argon
• TSCA Listed: false

Product Information

• Purity: 95%; 95+%; 98%