2,4-difluoropyridine

• ChemBase ID: 29989
• Molecular Formular: C5H3F2N
• Molecular Mass: 115.0808264
• Monoisotopic Mass: 115.02335554
• SMILES: c1(cc(ccn1)F)F
• Canonical SMILES: Fc1ccnc(c1)F
• InChI: InChI=1S/C5H3F2N/c6-4-1-2-8-5(7)3-4/h1-3H
• InChIKey: WLAKUAILRGATSL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,4-difluoropyridine
• IUPAC Traditional name: 2,4-difluoropyridine
• Synonyms: 2,4-Difluoropyridine; 2,4-Difluoropyridine; 2,4-二氟吡啶

Database IDs

• CAS Number: 34941-90-7
• MDL Number: MFCD04114162
• PubChem SID: 160993296
• PubChem CID: 2762838

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.4349079
• LogD (pH = 7.4): 1.4349079
• Log P: 1.4349079
• Molar Refractivity: 25.3486 cm^3
• Polarizability: 8.946236 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 107°C/760mm
• Flash Point: 27°C
• Density: 1.260
• Refractive Index: 1.4385
• Hydrophobicity(logP): 1.044

Safety Information

• Storage Warning: Flammable/Harmful/Irritant/Store under Argon; IRRITANT, FLAMMABLE
• European Hazard Symbols: Irritant (Xi)
• UN Number: UN1993
• Hazard Class: 3
• Packing Group: III
• Risk Statements: 10-36/37/38
• Safety Statements: 26-37
• TSCA Listed: false; 否
• GHS Pictograms: GHS02; GHS07
• GHS Hazard statements: H226-H315-H319-H335
• GHS Precautionary statements: P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A

Product Information

• Purity: 95%; 97%; 98%