2,3,5,6-tetrafluoropyridine

• ChemBase ID: 8047
• Molecular Formular: C5HF4N
• Molecular Mass: 151.0617528
• Monoisotopic Mass: 151.00451192
• SMILES: c1(c(nc(c(c1)F)F)F)F
• Canonical SMILES: Fc1nc(F)c(cc1F)F
• InChI: InChI=1S/C5HF4N/c6-2-1-3(7)5(9)10-4(2)8/h1H
• InChIKey: HWIPMBCMGVXOKN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3,5,6-tetrafluoropyridine
• IUPAC Traditional name: 2,3,5,6-tetrafluoropyridine
• Synonyms: 2,3,5,6-Tetrafluoropyridine 98%; 2,3,5,6-Tetrafluoropyridine; 2,3,5,6-Tetrafluoropyridine; 2,3,5,6-四氟吡啶

Database IDs

• CAS Number: 2875-18-5
• EC Number: 000-000-0
• MDL Number: MFCD00011734
• PubChem SID: 24859034; 160971354
• PubChem CID: 137749

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.1142426
• LogD (pH = 7.4): 2.1142426
• Log P: 2.1142426
• Molar Refractivity: 26.7961 cm^3
• Polarizability: 8.885718 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(lit.); 102°C; 102°C; 102-103°C
• Flash Point: 30°C; 30°C(86°F); 31 °C; 87.8 °F
• Density: 1.499; 1.499 g/mL at 25 °C(lit.)
• Refractive Index: 1.4046; n20/D 1.4046(lit.)

Safety Information

• Storage Warning: Flammable/Irritant; IRRITANT
• European Hazard Symbols: X; Irritant (Xi)
• UN Number: 1993; UN1993
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 3; III
• Risk Statements: 10-22-36/37/38; 10-36/37/38
• Safety Statements: 26-36/37-60; 28-36
• TSCA Listed: false; 否
• GHS Pictograms: GHS02; GHS06; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H226-H315-H319-H335; H301-H315-H319-H335-H226
• GHS Precautionary statements: P210-P301+P310-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: 95%; 97%; 98%
• Empirical Formula (Hill Notation): C5HF4N

DETAILS

Sigma Aldrich - 316679

Packaging
1 g in ampule