2,4,6-trifluoropyridine

• ChemBase ID: 12185
• Molecular Formular: C5H2F3N
• Molecular Mass: 133.0712896
• Monoisotopic Mass: 133.01393373
• SMILES: c1c(nc(cc1F)F)F
• Canonical SMILES: Fc1cc(F)nc(c1)F
• InChI: InChI=1S/C5H2F3N/c6-3-1-4(7)9-5(8)2-3/h1-2H
• InChIKey: UZDRWXKBKVVUTE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,4,6-trifluoropyridine
• IUPAC Traditional name: 2,4,6-trifluoropyridine
• Synonyms: 2,4,6-Trifluoropyridine; 2,4,6-Trifluoropyridine 98%; 2,4,6-Trifluoropyridine; 2,4,6-三氟吡啶

Database IDs

• CAS Number: 3512-17-2
• MDL Number: MFCD03001161
• Beilstein Number: 1364338
• PubChem SID: 160975492
• PubChem CID: 2783289

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.9715406
• LogD (pH = 7.4): 1.9715406
• Log P: 1.9715406
• Molar Refractivity: 26.5797 cm^3
• Polarizability: 8.881889 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 102°C; 96.5-97°C; 97-99°C
• Flash Point: 17°C; 17°C(62°F)
• Density: 1.382; 1.499
• Refractive Index: 1.4120; 1.4130

Safety Information

• Storage Warning: Highly Flammable/Corrosive/Store under Argon; IRRITANT, FLAMMABLE
• European Hazard Symbols: Corrosive (C); Flammable (F)
• UN Number: UN2924
• Hazard Class: 3
• Packing Group: II
• Risk Statements: 11-34
• Safety Statements: 16-26-36/37/39-45
• TSCA Listed: false; 否
• GHS Pictograms: GHS02; GHS05
• GHS Hazard statements: H225-H314-H318
• GHS Precautionary statements: P210-P280-P303+P361+P353-P305+P351+P338-P310

Product Information

• Purity: 95+%; 98%; 98+%