4-ethoxy-2,6-difluoroaniline

• ChemBase ID: 296717
• Molecular Formular: C8H9F2NO
• Molecular Mass: 173.1599664
• Monoisotopic Mass: 173.06522035
• SMILES: CCOc1cc(c(c(c1)F)N)F
• Canonical SMILES: CCOc1cc(F)c(c(c1)F)N
• InChI: InChI=1S/C8H9F2NO/c1-2-12-5-3-6(9)8(11)7(10)4-5/h3-4H,2,11H2,1H3
• InChIKey: WEVYXUJTENEFCM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-ethoxy-2,6-difluoroaniline
• IUPAC Traditional name: 4-ethoxy-2,6-difluoroaniline
• Synonyms: 2,6-Difluoro-p-phenetidine; 4-Ethoxy-2,6-difluoroaniline, JRD; 4-乙氧基-2,6-二氟苯胺, JRD

Database IDs

• MDL Number: MFCD09832394
• PubChem SID: 180682248
• PubChem CID: 20112218

CALCULATED PROPERTIES

• Acid pKa: 16.007313
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.6288127
• LogD (pH = 7.4): 1.6288599
• Log P: 1.6288605
• Molar Refractivity: 42.403 cm^3
• Polarizability: 15.287607 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Refractive Index: 1.5084

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: H331-H302-H312-H315-H319
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 97%