2-fluoro-6-methylpyridine

• ChemBase ID: 7683
• Molecular Formular: C6H6FN
• Molecular Mass: 111.1169432
• Monoisotopic Mass: 111.04842742
• SMILES: c1c(nc(cc1)F)C
• Canonical SMILES: Cc1cccc(n1)F
• InChI: InChI=1S/C6H6FN/c1-5-3-2-4-6(7)8-5/h2-4H,1H3
• InChIKey: UDMNVTJFUISBFD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-fluoro-6-methylpyridine
• IUPAC Traditional name: 2-fluoro-6-methylpyridine
• Synonyms: 2-Fluoro-6-methylpyridine; 2-Fluoro-6-methylpyridine; 6-Fluoro-2-picoline; 2-Fluoro-6-methylpyridine 98%; 2-Fluoro-6-methylpyridine; 6-氟-2-甲基吡啶; 2-氟-6-甲基吡啶

Database IDs

• CAS Number: 407-22-7
• EC Number: 206-980-8
• MDL Number: MFCD00041226
• Beilstein Number: 107084
• PubChem SID: 160970990; 24877949
• PubChem CID: 96090

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.4235752
• LogD (pH = 7.4): 1.4235761
• Log P: 1.4235761
• Molar Refractivity: 29.7237 cm^3
• Polarizability: 10.868937 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 140-141 °C(lit.); 140-141°C; 140-141°C
• Flash Point: 150.8 °F; 66 °C; 66.7°C; 66°C(150°F)
• Density: 1.077; 1.077 g/mL at 25 °C(lit.)
• Refractive Index: 1.47; 1.4700; n20/D 1.47(lit.)
• Hydrophobicity(logP): 1.371

Safety Information

• Storage Warning: IRRITANT; Irritant/Store under Argon
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36; 26-37
• TSCA Listed: false; 否
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335; H315-H319-H335-H227
• GHS Precautionary statements: P210-P305+P351+P338-P302+P352-P321-P405-P501A; P261-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: 95%; 97%; 98%
• Empirical Formula (Hill Notation): C6H6FN

DETAILS

Sigma Aldrich - 533262

Packaging
1 g in glass bottle