2,3-difluoropyridine

• ChemBase ID: 18896
• Molecular Formular: C5H3F2N
• Molecular Mass: 115.0808264
• Monoisotopic Mass: 115.02335554
• SMILES: c1cnc(c(c1)F)F
• Canonical SMILES: Fc1ncccc1F
• InChI: InChI=1S/C5H3F2N/c6-4-2-1-3-8-5(4)7/h1-3H
• InChIKey: OGVLEPMNNPZAPS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3-difluoropyridine
• IUPAC Traditional name: 2,3-difluoropyridine
• Synonyms: 2,3-Difluoropyridine 97%; 2,3-Difluoropyridine; 2,3-Difluoropyridine; 2,3-二氟吡啶

Database IDs

• CAS Number: 1513-66-2
• MDL Number: MFCD04114143
• PubChem SID: 160982203
• PubChem CID: 2783176

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: 8.945717 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 125-126°C; 125-126°C
• Flash Point: 26 °C; 31°C(88°F); 78.8 °F
• Density: 1.265 g/mL at 25 °C
• Refractive Index: n20/D 1.427
• Hydrophobicity(logP): 0.953

Safety Information

• Storage Warning: Harmful/Irritant; IRRITANT, FLAMMABLE
• European Hazard Symbols: Nature polluting (N); Irritant (Xi); Harmful (Xn)
• UN Number: 1993; UN1993
• German water hazard class: 2
• Hazard Class: 3
• Packing Group: 3; III
• Risk Statements: 10-22-41-50; 10-36/37/38
• Safety Statements: 16-25-26-36/37/39-45-61; 26-37
• TSCA Listed: false; 否
• GHS Pictograms: GHS02; GHS05; GHS07; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H226-H302-H318-H400; H226-H315-H319-H335
• GHS Precautionary statements: P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A; P273-P280-P305 + P351 + P338
• RID/ADR: UN 1993 3/PG 3

Product Information

• Purity: 95%; 97%; 98%
• Empirical Formula (Hill Notation): C5H3F2N

DETAILS

Sigma Aldrich - 718173

Packaging
1, 5 g in glass bottle