2-fluoro-6-(trifluoromethyl)pyridine

• ChemBase ID: 16325
• Molecular Formular: C6H3F4N
• Molecular Mass: 165.0883328
• Monoisotopic Mass: 165.02016198
• SMILES: c1c(nc(cc1)F)C(F)(F)F
• Canonical SMILES: Fc1cccc(n1)C(F)(F)F
• InChI: InChI=1S/C6H3F4N/c7-5-3-1-2-4(11-5)6(8,9)10/h1-3H
• InChIKey: IZOIOCQPMHHDHN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-fluoro-6-(trifluoromethyl)pyridine
• IUPAC Traditional name: 2-fluoro-6-(trifluoromethyl)pyridine
• Synonyms: 2-Fluoro-6-trifluoromethylpyridine; 2-Fluoro-6-(trifluoromethyl)pyridine; 2-Fluoro-6-(trifluoromethyl)pyridine; 2-氟-6-(三氟甲基)吡啶

Database IDs

• CAS Number: 94239-04-0
• EC Number: 428-100-3
• MDL Number: MFCD03092901
• PubChem SID: 160979632
• PubChem CID: 2736501

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.5559049
• LogD (pH = 7.4): 2.5559049
• Log P: 2.5559049
• Molar Refractivity: 30.7339 cm^3
• Polarizability: 10.682249 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.819

Safety Information

• Storage Warning: IRRITANT; Irritant/Keep Cold
• European Hazard Symbols: X
• UN Number: UN1993
• Hazard Class: 3
• Packing Group: III
• Risk Statements: 10-20/22-52/53
• Safety Statements: 16-61
• TSCA Listed: false; 否
• GHS Pictograms: GHS02; GHS07
• GHS Hazard statements: H226-H302-H332-H402-H412
• GHS Precautionary statements: P210-P241-P261-P303+P361+P353-P403+P235-P501A

Product Information

• Purity: 95%; 98%