(5-amino-2-fluorophenyl)methanol

• ChemBase ID: 44039
• Molecular Formular: C7H8FNO
• Molecular Mass: 141.1429232
• Monoisotopic Mass: 141.0589921
• SMILES: c1(c(ccc(c1)N)F)CO
• Canonical SMILES: OCc1cc(N)ccc1F
• InChI: InChI=1S/C7H8FNO/c8-7-2-1-6(9)3-5(7)4-10/h1-3,10H,4,9H2
• InChIKey: NBVPTQRFNRBXGB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (5-amino-2-fluorophenyl)methanol
• IUPAC Traditional name: (5-amino-2-fluorophenyl)methanol
• Synonyms: (5-Amino-2-fluorophenyl)methanol; (5-Amino-2-fluorophenyl)methanol; 4-Fluoro-3-(hydroxymethyl)aniline; 5-Amino-2-fluorobenzyl alcohol 99%

Database IDs

• CAS Number: 84832-00-8
• MDL Number: MFCD03094257
• PubChem SID: 162048802
• PubChem CID: 2737680

CALCULATED PROPERTIES

• Acid pKa: 14.652064
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.51442415
• LogD (pH = 7.4): 0.5196055
• Log P: 0.51967204
• Molar Refractivity: 37.7907 cm^3
• Polarizability: 13.618921 Å^3
• Polar Surface Area: 46.25 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 97-99°C; 99 - 100 °C; 99-100°C

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false

Product Information

• Purity: >95%; 95+%