2,6-difluoro-3-methylaniline

• ChemBase ID: 98148
• Molecular Formular: C7H7F2N
• Molecular Mass: 143.1339864
• Monoisotopic Mass: 143.05465567
• SMILES: Nc1c(c(ccc1F)C)F
• Canonical SMILES: Fc1ccc(c(c1N)F)C
• InChI: InChI=1S/C7H7F2N/c1-4-2-3-5(8)7(10)6(4)9/h2-3H,10H2,1H3
• InChIKey: ZMNJSSZHDRBGNN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-difluoro-3-methylaniline
• IUPAC Traditional name: 2,6-difluoro-3-methylaniline
• Synonyms: 2,6-Difluoro-3-methylaniline; 3-Amino-2,4-difluorotoluene; 2,6-Difluoro-m-toluidine; 2,6-Difluoro-3-methylaniline; 2,6-二氟-3-甲基苯胺

Database IDs

• CAS Number: 144851-63-8
• EC Number: None
• MDL Number: MFCD06660182
• PubChem SID: 162084608
• PubChem CID: 15017536

CALCULATED PROPERTIES

• Acid pKa: 14.91384
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.9431299
• LogD (pH = 7.4): 1.9431449
• Log P: 1.9431452
• Molar Refractivity: 36.2324 cm^3
• Polarizability: 12.657861 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Toxic/Harmful/Irritant/Light Sensitive/Keep Cold
• European Hazard Symbols: X
• UN Number: UN2810
• 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%