2-fluoro-4-nitrophenol

• ChemBase ID: 7537
• Molecular Formular: C6H4FNO3
• Molecular Mass: 157.0992632
• Monoisotopic Mass: 157.01752121
• SMILES: c1(O)c(F)cc([N+](=O)[O-])cc1
• Canonical SMILES: [O-][N+](=O)c1ccc(c(c1)F)O
• InChI: InChI=1S/C6H4FNO3/c7-5-3-4(8(10)11)1-2-6(5)9/h1-3,9H
• InChIKey: ORPHLVJBJOCHBR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-fluoro-4-nitrophenol
• IUPAC Traditional name: 2-fluoro-4-nitrophenol
• Synonyms: 3-Fluoro-4-hydroxynitrobenzene; 2-Fluoro-4-nitrophenol 98%; 2-Fluoro-4-nitrophenol; 2-Fluoro-4-nitrophenol; 2-氟-4-硝基苯酚

Database IDs

• CAS Number: 403-19-0
• MDL Number: MFCD00051970
• Beilstein Number: 1944995
• PubChem SID: 160970844; 24861291
• PubChem CID: 9825

CALCULATED PROPERTIES

• Acid pKa: 6.091988
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.6544522
• LogD (pH = 7.4): 0.49845275
• Log P: 1.7523667
• Molar Refractivity: 34.5758 cm^3
• Polarizability: 12.687963 Å^3
• Polar Surface Area: 63.37 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 117-121°C; 118-119°C; 120-122 °C(lit.); 120-122°C; 121 - 122°C
• Hydrophobicity(logP): 1.901

Safety Information

• Storage Warning: Harmful/Irritant; IRRITANT
• European Hazard Symbols: X; Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 20/21/22-36/37/38; 22-36/37/38
• Safety Statements: 26-36; 26-36/37
• TSCA Listed: false; 否
• GHS Pictograms: GHS06; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H301-H315-H319-H335; H302-H312-H315-H319-H332-H335
• GHS Precautionary statements: P261-P280-P305 + P351 + P338; P261-P301+P310-P305+P351+P338-P302+P352-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 95%; 98%; 98+%; 99%
• Linear Formula: FC6H3(NO2)OH

DETAILS

Sigma Aldrich - 345067

Packaging
1, 5 g in glass bottle