4-fluoro-2-nitroaniline

• ChemBase ID: 7236
• Molecular Formular: C6H5FN2O2
• Molecular Mass: 156.1145032
• Monoisotopic Mass: 156.03350563
• SMILES: c1(c(cc(cc1)F)[N+](=O)[O-])N
• Canonical SMILES: Fc1ccc(c(c1)[N+](=O)[O-])N
• InChI: InChI=1S/C6H5FN2O2/c7-4-1-2-5(8)6(3-4)9(10)11/h1-3H,8H2
• InChIKey: PUGDHSSOXPHLPT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-fluoro-2-nitroaniline
• IUPAC Traditional name: 4-fluoro-2-nitroaniline
• Synonyms: 4-Fluoro-2-nitroaniline; 2-Amino-5-fluoronitrobenzene; 4-Fluoro-2-nitroaniline 97%; U - Cholesterol solution; 4-Fluoro-2-nitroaniline; 4-fluoro-2-nitrobenzenaMine; 胆固醇 溶液; 4-氟-2-硝基苯胺

Database IDs

• CAS Number: 57-88-5; 364-78-3
• EC Number: 206-666-0
• MDL Number: MFCD00007830
• Beilstein Number: 2210197
• PubChem SID: 160970543; 24849991
• PubChem CID: 67769

CALCULATED PROPERTIES

• Molar Refractivity: 37.2953 cm^3
• Polarizability: 13.164712 Å^3
• Polar Surface Area: 69.16 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• Acid pKa: 15.356879
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.8770052
• LogD (pH = 7.4): 1.8770059
• Log P: 1.8770059

PROPERTIES

Physical Property

• Melting Point: 90-94 °C; 90-94 °C(lit.); 90-94°C; 90-94°C; 91-93°C
• Flash Point: 192.2 °F; 89 °C; 89°C; 89°C(192°F)

Safety Information

• Storage Warning: Harmful/Irritant/Light Sensitive/Keep Cold; IRRITANT
• European Hazard Symbols: X; Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 20/21/22-36/37/38
• Safety Statements: 26-36/37; 9-26-36/37
• TSCA Listed: false; 否
• GHS Pictograms: GHS06; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H301-H311-H332-H315-H319-H335; H302-H312-H315-H319-H332-H335
• GHS Precautionary statements: P261-P280-P305 + P351 + P338; P261-P301+P310-P305+P351+P338-P361-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ≥97.0% (HPLC); 97%; 98%
• Grade: purum
• Linear Formula: FC6H3(NO2)NH2

DETAILS

Sigma Aldrich - 162558

Packaging
5, 25, 100 g in glass bottle