4-ethoxy-3,5-difluoroaniline

• ChemBase ID: 296814
• Molecular Formular: C8H9F2NO
• Molecular Mass: 173.1599664
• Monoisotopic Mass: 173.06522035
• SMILES: CCOc1c(cc(cc1F)N)F
• Canonical SMILES: CCOc1c(F)cc(cc1F)N
• InChI: InChI=1S/C8H9F2NO/c1-2-12-8-6(9)3-5(11)4-7(8)10/h3-4H,2,11H2,1H3
• InChIKey: QDBYWBVGALLLHU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-ethoxy-3,5-difluoroaniline
• IUPAC Traditional name: 4-ethoxy-3,5-difluoroaniline
• Synonyms: 3,5-Difluoro-p-phenetidine; 4-Ethoxy-3,5-difluoroaniline, JRD; 4-乙氧基-3,5-二氟苯胺, JRD

Database IDs

• MDL Number: MFCD09258686
• PubChem SID: 180682345
• PubChem CID: 46737606

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.6272705
• LogD (pH = 7.4): 1.6288403
• Log P: 1.6288605
• Molar Refractivity: 42.403 cm^3
• Polarizability: 15.286052 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 66-68°C

Safety Information

• European Hazard Symbols: X
• UN Number: UN2811
• Hazard Class: 6.1
• Packing Group: III
• Risk Statements: 20/21/22-36/38
• Safety Statements: 26-36/37
• TSCA Listed: 否
• GHS Pictograms: GHS06
• GHS Hazard statements: H331-H302-H312-H315-H319
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 97%