2-fluoro-5-methylpyridine

• ChemBase ID: 13657
• Molecular Formular: C6H6FN
• Molecular Mass: 111.1169432
• Monoisotopic Mass: 111.04842742
• SMILES: c1(cnc(cc1)F)C
• Canonical SMILES: Fc1ccc(cn1)C
• InChI: InChI=1S/C6H6FN/c1-5-2-3-6(7)8-4-5/h2-4H,1H3
• InChIKey: AOSOZARHUJMBLZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-fluoro-5-methylpyridine
• IUPAC Traditional name: 2-fluoro-5-methylpyridine
• Synonyms: 6-Fluoro-3-picoline; 2-Fluoro-5-picoline; 2-Fluoro-5-methylpyridine 99%; 2-Fluoro-5-methylpyridine; 2-Fluoro-5-methylpyridine; 2-氟-5-甲基吡啶

Database IDs

• CAS Number: 2369-19-9
• MDL Number: MFCD00041225
• Beilstein Number: 107085
• PubChem SID: 24881557; 160976964
• PubChem CID: 2774635

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.805627
• LogD (pH = 7.4): 1.8056273
• Log P: 1.8056273
• Molar Refractivity: 30.1734 cm^3
• Polarizability: 10.868493 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 153-155°C; 153-155°C; 158-159 °C(lit.); 158-159°C
• Flash Point: 118.4 °F; 40°C(104°F); 48 °C; 48.3°C
• Density: 1.072; 1.072 g/mL at 25 °C(lit.); 1.077
• Refractive Index: 1.471; 1.4710; n20/D 1.4730(lit.)
• Hydrophobicity(logP): 1.371

Safety Information

• Storage Warning: Flammable/Irritant; IRRITANT
• 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; 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: 95%; 97%; 98%; 99%
• Empirical Formula (Hill Notation): C6H6FN

DETAILS

Sigma Aldrich - 595136

Packaging
1 g in glass bottle