4-ethoxy-2,3-difluoroaniline

• ChemBase ID: 296994
• Molecular Formular: C8H9F2NO
• Molecular Mass: 173.1599664
• Monoisotopic Mass: 173.06522035
• SMILES: CCOc1ccc(c(c1F)F)N
• Canonical SMILES: CCOc1ccc(c(c1F)F)N
• InChI: InChI=1S/C8H9F2NO/c1-2-12-6-4-3-5(11)7(9)8(6)10/h3-4H,2,11H2,1H3
• InChIKey: HQGQPBARTOHEJX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-ethoxy-2,3-difluoroaniline
• IUPAC Traditional name: 4-ethoxy-2,3-difluoroaniline
• Synonyms: 2,3-Difluoro-p-phenetidine; 4-Ethoxy-2,3-difluoroaniline, JRD; 4-乙氧基-2,3-二氟苯胺, JRD

Database IDs

• MDL Number: MFCD09258703
• PubChem SID: 180682525
• PubChem CID: 22450978

CALCULATED PROPERTIES

• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• Acid pKa: 19.487358
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.6285276
• LogD (pH = 7.4): 1.6288562
• Log P: 1.6288605
• Molar Refractivity: 42.403 cm^3
• Polarizability: 15.284851 Å^3

PROPERTIES

Safety Information

• European Hazard Symbols: X
• UN Number: UN2810
• Hazard Class: 6.1
• Packing Group: III
• Risk Statements: 20/21/22-36/38
• Safety Statements: 26-28-36/37
• TSCA Listed: 否
• GHS Pictograms: GHS06
• GHS Hazard statements: H311-H302-H332-H315-H319
• GHS Precautionary statements: P280H-P305+P351+P338-P302+P352-P309-P310

Product Information

• Purity: 97%