2,6-difluoropyridine

• ChemBase ID: 9384
• Molecular Formular: C5H3F2N
• Molecular Mass: 115.0808264
• Monoisotopic Mass: 115.02335554
• SMILES: c1c(nc(cc1)F)F
• Canonical SMILES: Fc1cccc(n1)F
• InChI: InChI=1S/C5H3F2N/c6-4-2-1-3-5(7)8-4/h1-3H
• InChIKey: MBTGBRYMJKYYOE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-difluoropyridine
• IUPAC Traditional name: 2,6-difluoropyridine
• Synonyms: 2,6-Difluoropyridine; 2,6-Difluoropyridine 99%; 2,6-Difluoropyridine; 2,6-Difluoropyridine; 2,6-二氟吡啶

Database IDs

• CAS Number: 1513-65-1
• EC Number: 216-152-8
• MDL Number: MFCD00006227
• Beilstein Number: 1422549
• PubChem SID: 24853965; 160972691
• PubChem CID: 73934

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.8288386
• LogD (pH = 7.4): 1.8288386
• Log P: 1.8288386
• Molar Refractivity: 26.3633 cm^3
• Polarizability: 8.947749 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 123-124°C; 124.5 °C/743 mmHg(lit.); 124.5°C/743mm; 125°C
• Flash Point: 33 °C; 33°C; 33°C(91°F); 91.4 °F
• Density: 1.268; 1.268 g/mL at 25 °C(lit.)
• Refractive Index: 1.437; 1.4370; n20/D 1.437(lit.)

Safety Information

• Storage Warning: Flammable/Irritant; IRRITANT, FLAMMABLE
• European Hazard Symbols: Irritant (Xi)
• UN Number: 1993; UN1993
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 3; III
• Risk Statements: 10-36/37/38
• Safety Statements: 16-26-36/37/39; 26-37
• TSCA Listed: false; 否
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H226-H315-H319-H335
• GHS Precautionary statements: P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A; P261-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1993 3/PG 3

Product Information

• Purity: 97%; 98%; 98+%; 99%
• Empirical Formula (Hill Notation): C5H3F2N

DETAILS

Apollo Scientific Ltd - PC2886

J. Chem. Soc., Perkin 1, 423 (1998): Sequential elimination of the fluorine atoms with nitrogen has resulted in the synthesis of linear and macrocyclic ligands.

Sigma Aldrich - 233277

Packaging
5, 25 g in glass bottle

REFERENCES

• Sequential displacement of the fluorine atoms with nitrogen has been used in the synthesis of linear and macrocyclic ligands: J. Chem. Soc., Perkin 1, 423 (1998).