2,3-difluoro-4-methylaniline

• ChemBase ID: 296301
• Molecular Formular: C7H7F2N
• Molecular Mass: 143.1339864
• Monoisotopic Mass: 143.05465567
• SMILES: Cc1ccc(c(c1F)F)N
• Canonical SMILES: Cc1ccc(c(c1F)F)N
• InChI: InChI=1S/C7H7F2N/c1-4-2-3-5(10)7(9)6(4)8/h2-3H,10H2,1H3
• InChIKey: HMDHQYKNBZEFTH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3-difluoro-4-methylaniline
• IUPAC Traditional name: 2,3-difluoro-4-methylaniline
• Synonyms: 2,3-Difluoro-4-methylaniline; 2,3-二氟-4-甲苯胺

Database IDs

• CAS Number: 886503-79-3
• MDL Number: MFCD06660321
• PubChem SID: 180681832
• PubChem CID: 17750814

CALCULATED PROPERTIES

• Acid pKa: 18.920954
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.9429852
• LogD (pH = 7.4): 1.9431431
• Log P: 1.9431452
• Molar Refractivity: 36.2324 cm^3
• Polarizability: 12.654267 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: X
• Risk Statements: 22-36/37/38
• Safety Statements: 26-36/37
• TSCA Listed: 否
• GHS Pictograms: GHS06
• GHS Hazard statements: H301-H315-H319-H335
• GHS Precautionary statements: P261-P301+P310-P305+P351+P338-P302+P352-P405-P501A

Product Information

• Purity: 97%