2-fluoro-3-methylpyridine

• ChemBase ID: 7381
• Molecular Formular: C6H6FN
• Molecular Mass: 111.1169432
• Monoisotopic Mass: 111.04842742
• SMILES: c1(C)c(F)nccc1
• Canonical SMILES: Cc1cccnc1F
• InChI: InChI=1S/C6H6FN/c1-5-3-2-4-8-6(5)7/h2-4H,1H3
• InChIKey: PHGXUFPYCAWEHK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-fluoro-3-methylpyridine
• IUPAC Traditional name: 2-fluoro-3-methylpyridine
• Synonyms: 2-Fluoro-3-picoline; 2-Fluoro-3-methylpyridine 98%; 2-Fluoro-3-methylpyridine; 2-Fluoro-3-methylpyridine; 2-Fluoro-3-methylpyridine; 2-氟-3-皮考林; 2-氟-3-甲基吡啶

Database IDs

• CAS Number: 2369-18-8
• EC Number: 000-000-0
• MDL Number: MFCD00041223
• Beilstein Number: 1877
• PubChem SID: 160970688; 24877947
• PubChem CID: 242722

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.8056267
• LogD (pH = 7.4): 1.8056273
• Log P: 1.8056273
• Molar Refractivity: 30.1734 cm^3
• Polarizability: 10.870114 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 148-150°C; 148-150°C; 154-155 °C(lit.)
• Flash Point: >100°C(212°F); 118.4 °F; 48 °C
• Density: 1.078; 1.098; 1.098 g/mL at 25 °C(lit.)
• Refractive Index: 1.475; 1.4750; n20/D 1.476(lit.)

Safety Information

• Storage Warning: Irritant; IRRITANT, FLAMMABLE
• European Hazard Symbols: Irritant (Xi)
• UN Number: 1993
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 3
• Risk Statements: 10-36/37/38; 36/37/38
• Safety Statements: 23-26-37; 26-36
• TSCA Listed: false; 否
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H226-H315-H319-H335; H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• 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: 97%
• Empirical Formula (Hill Notation): C6H6FN

DETAILS

Sigma Aldrich - 533246

Packaging
1 g in glass bottle