2-fluoro-5-nitroaniline

• ChemBase ID: 7621
• Molecular Formular: C6H5FN2O2
• Molecular Mass: 156.1145032
• Monoisotopic Mass: 156.03350563
• SMILES: c1(c(ccc(c1)[N+](=O)[O-])F)N
• Canonical SMILES: [O-][N+](=O)c1ccc(c(c1)N)F
• InChI: InChI=1S/C6H5FN2O2/c7-5-2-1-4(9(10)11)3-6(5)8/h1-3H,8H2
• InChIKey: KJVBJICWGQIMOZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-fluoro-5-nitroaniline
• IUPAC Traditional name: 2-fluoro-5-nitroaniline
• Synonyms: 2-Fluoro-5-nitroaniline; 2-Fluoro-5-nitroaniline; 3-Amino-4-fluoronitrobenzene; 2-Fluoro-5-nitroaniline 98%; 2-Fluoro-5-nitroaniline 96%; 2-氟-5-硝基苯胺

Database IDs

• CAS Number: 369-36-8
• EC Number: 206-720-3
• MDL Number: MFCD00007652
• Beilstein Number: 2803491
• PubChem SID: 24849574; 160970928; 24870709
• PubChem CID: 67785

CALCULATED PROPERTIES

• Acid pKa: 16.22416
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.2270048
• LogD (pH = 7.4): 1.227006
• Log P: 1.227006
• Molar Refractivity: 37.2953 cm^3
• Polarizability: 13.163486 Å^3
• Polar Surface Area: 69.16 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 97-100 °C(lit.); 97-103°C; 99-101°C; 99-103°C
• Flash Point: 195.8 °F; 91 °C; 91°C; 91°C(195°F)

Safety Information

• Storage Warning: IRRITANT; Toxic/Irritant/Light Sensitive/Keep Cold
• European Hazard Symbols: Flammable (F); X; Irritant (Xi)
• UN Number: 1325
• German water hazard class: 3
• Hazard Class: 4.1
• Packing Group: 2
• Risk Statements: 11-36/37/38; 20/21/22-36/37/38
• Safety Statements: 16-26-36; 9-26-36/37
• TSCA Listed: false; 否
• GHS Pictograms: GHS02; GHS06; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H228-H315-H319-H335; H301-H311-H332-H315-H319-H335
• GHS Precautionary statements: P210-P261-P305 + P351 + P338; P261-P301+P310-P305+P351+P338-P361-P405-P501A
• Personal Protective Equipment: Eyeshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• RID/ADR: UN 1325 4.1/PG 2

Product Information

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

DETAILS

Sigma Aldrich - 155853

Packaging
25, 100 g in poly bottle