3-ethoxy-2,4-difluoroaniline

• ChemBase ID: 296791
• Molecular Formular: C8H9F2NO
• Molecular Mass: 173.1599664
• Monoisotopic Mass: 173.06522035
• SMILES: CCOc1c(ccc(c1F)N)F
• Canonical SMILES: CCOc1c(F)ccc(c1F)N
• InChI: InChI=1S/C8H9F2NO/c1-2-12-8-5(9)3-4-6(11)7(8)10/h3-4H,2,11H2,1H3
• InChIKey: SVBJINNDWHYYHC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD09258726
• PubChem SID: 180682322
• PubChem CID: 46737643

CALCULATED PROPERTIES

• Acid pKa: 18.75095
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.6287736
• LogD (pH = 7.4): 1.6288593
• Log P: 1.6288605
• Molar Refractivity: 42.403 cm^3
• Polarizability: 15.288134 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Refractive Index: 1.5450

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%