1-(2-fluorophenoxy)-2-nitrobenzene

• ChemBase ID: 131009
• Molecular Formular: C12H8FNO3
• Molecular Mass: 233.1952232
• Monoisotopic Mass: 233.04882134
• SMILES: c1ccc(c(c1)[N+](=O)[O-])Oc1ccccc1F
• Canonical SMILES: Fc1ccccc1Oc1ccccc1[N+](=O)[O-]
• InChI: InChI=1S/C12H8FNO3/c13-9-5-1-3-7-11(9)17-12-8-4-2-6-10(12)14(15)16/h1-8H
• InChIKey: XVZDYNSMGNIZSS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-fluorophenoxy)-2-nitrobenzene
• IUPAC Traditional name: 1-(2-fluorophenoxy)-2-nitrobenzene
• Synonyms: FNDPE; 2-Fluoro-2′-nitrodiphenyl ether; 2-Fluorophenyl 2-nitrophenyl ether; 2-氟代-2′-硝基二苯醚; 2-氟苯基2-硝基苯基醚

Database IDs

• CAS Number: 93974-08-4
• MDL Number: MFCD00079292
• Beilstein Number: 4457734
• PubChem SID: 24870943; 162225287
• PubChem CID: 736302

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.556219
• LogD (pH = 7.4): 3.556219
• Log P: 3.556219
• Molar Refractivity: 59.8399 cm^3
• Polarizability: 22.230305 Å^3
• Polar Surface Area: 55.05 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: 125 °C; 257 °F
• Density: 1.315 g/mL at 20 °C(lit.)

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves

Product Information

• Purity: ≥98.0%; ≥98.0% (GC)
• Grade: Selectophore™
• Linear Formula: FC6H4OC6H4NO2

DETAILS

Sigma Aldrich - 47390

General description
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Other Notes
Plasticizer in neutral carrier based polymer membrane ion-selective electrodes1,2,3,4
Legal Information
Selectophore is a trademark of Sigma-Aldrich GmbH