2-fluoro-6-nitrophenol

• ChemBase ID: 13692
• Molecular Formular: C6H4FNO3
• Molecular Mass: 157.0992632
• Monoisotopic Mass: 157.01752121
• SMILES: c1ccc(c(c1[N+](=O)[O-])O)F
• Canonical SMILES: [O-][N+](=O)c1cccc(c1O)F
• InChI: InChI=1S/C6H4FNO3/c7-4-2-1-3-5(6(4)9)8(10)11/h1-3,9H
• InChIKey: HIGRXCJEFUYRNW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-fluoro-6-nitrophenol
• IUPAC Traditional name: 2-fluoro-6-nitrophenol
• Synonyms: 6-Fluoro-2-nitrophenol; 2-Fluoro-6-nitrophenol; 3-Fluoro-2-hydroxynitrobenzene; 2-Fluoro-6-nitrophenol 98%; 2-Fluoro-6-nitrophenol; 2-氟-6-硝基苯酚

Database IDs

• CAS Number: 1526-17-6
• EC Number: 216-199-4
• MDL Number: MFCD00042446
• Beilstein Number: 1870307
• PubChem SID: 160976999
• PubChem CID: 73710

CALCULATED PROPERTIES

• Acid pKa: 5.822462
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.5855912
• LogD (pH = 7.4): 0.31568676
• Log P: 1.7523667
• Molar Refractivity: 34.5758 cm^3
• Polarizability: 12.691076 Å^3
• Polar Surface Area: 63.37 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 91-94°C; 92-94°C

Safety Information

• Storage Warning: IRRITANT; Irritant
• European Hazard Symbols: X
• Risk Statements: 22-36/37/38
• Safety Statements: 26-36/37
• TSCA Listed: false; 否
• GHS Pictograms: GHS06
• GHS Hazard statements: H301-H315-H319-H335
• GHS Precautionary statements: P261-P301+P310-P305+P351+P338-P302+P352-P405-P501A

Product Information

• Purity: 98%; 98+%