1-fluoro-2-nitrobenzene

• ChemBase ID: 97072
• Molecular Formular: C6H4FNO2
• Molecular Mass: 141.0998632
• Monoisotopic Mass: 141.02260659
• SMILES: [N+](=O)(c1c(cccc1)F)[O-]
• Canonical SMILES: [O-][N+](=O)c1ccccc1F
• InChI: InChI=1S/C6H4FNO2/c7-5-3-1-2-4-6(5)8(9)10/h1-4H
• InChIKey: PWKNBLFSJAVFAB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-fluoro-2-nitrobenzene
• IUPAC Traditional name: O-fluoronitrobenzene
• Synonyms: 2-Fluoronitrobenzene; 1-Fluoro-2-nitrobenzene; 2-Fluoronitrobenzene 98%; 1-Fluoro-2-nitrobenzene; o-FLUORONITROBENZENE; 2-Fluoronitrobenzene; 2-Nitrofluorobenzene; 1-氟-2-硝基苯

Database IDs

• CAS Number: 1493-27-2
• EC Number: 216-088-0
• MDL Number: MFCD00007048
• Beilstein Number: 607262
• PubChem SID: 162083696; 24894745
• PubChem CID: 73895

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.055932
• LogD (pH = 7.4): 2.055932
• Log P: 2.055932
• Molar Refractivity: 32.5949 cm^3
• Polarizability: 11.98692 Å^3
• Polar Surface Area: 43.14 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: deep greenish-yellow
• Melting Point: -6°C; -8°C; -9--6 °C(lit.)
• Boiling Point: 116 °C/22 mmHg(lit.); 116°C/22mm; 215°C
• Flash Point: 201.2 °F; 94 °C; 94°C; 94°C(201°F)
• Density: 1.338; 1.338 g/mL at 25 °C(lit.); 1.340
• Refractive Index: 1.5317; n20/D 1.532; n20/D 1.532(lit.)

Safety Information

• Storage Warning: Toxic/Irritant
• European Hazard Symbols: Toxic (T); Irritant (Xi)
• UN Number: UN2810
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: III
• Risk Statements: 23/24/25-33-36/38; 36/37/38
• Safety Statements: 26-36; 4-9-20-23-26-27-36/37/39-45
• TSCA Listed: 是
• GHS Pictograms: GHS06; GHS07; GHS08
• GHS Signal Word: Warning
• GHS Hazard statements: H301-H311-H331-H315-H319-H373; H315-H319-H335
• GHS Precautionary statements: P260-P301+P310-P305+P351+P338-P361-P405-P501A; P261-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: ≥98.0% (GC); 95+%; 99%
• Grade: purum
• Linear Formula: FC6H4NO2

DETAILS

MP Biomedicals - 05205902

MP Biomedicals Rare Chemical collection

Apollo Scientific Ltd - PC3890

The activated fluorine reacts with arylamines to form 2-nitrodiarylamines see: Synthesis, 215 (1980)

Sigma Aldrich - F10801

Packaging
50, 250 g in glass bottle

REFERENCES

• The activating effect of aryl halides by o- or p-nitro groups is most pronounced for aryl fluorides, e.g. reacts readily with arylamines in a convenient synthesis of 2-nitrodiarylamines: Synthesis, 215 (1980).