2-methoxy-6-methylpyridine

• ChemBase ID: 69455
• Molecular Formular: C7H9NO
• Molecular Mass: 123.15246
• Monoisotopic Mass: 123.06841391
• SMILES: c1(cccc(n1)C)OC
• Canonical SMILES: COc1cccc(n1)C
• InChI: InChI=1S/C7H9NO/c1-6-4-3-5-7(8-6)9-2/h3-5H,1-2H3
• InChIKey: WIMNZMOEBDPZTB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxy-6-methylpyridine
• IUPAC Traditional name: 2-methoxy-6-methylpyridine
• Synonyms: 6-Methoxy-2-picoline; 2-Methoxy-6-methylpyridine; 2-Methoxy-6-picoline; 2-Methoxy-6-methylpyridine 98%; 2-Methoxy-6-methylpyridine; 2-甲氧基-6-甲基吡啶

Database IDs

• CAS Number: 63071-03-4
• MDL Number: MFCD04112507
• PubChem SID: 162035181
• PubChem CID: 5324773

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.3165517
• LogD (pH = 7.4): 1.3236387
• Log P: 1.3237299
• Molar Refractivity: 35.2693 cm^3
• Polarizability: 13.713578 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 156°C/759mm; 156°C
• Flash Point: 49°C(120°F)
• Density: 1.01
• Refractive Index: 1.4995

Safety Information

• Storage Warning: Flammable/Toxic/Harmful; IRRITANT
• European Hazard Symbols: X
• UN Number: UN1993
• Hazard Class: 3
• Packing Group: III
• Risk Statements: 10-20/21/22-36/38
• Safety Statements: 9-23-26-36/37
• TSCA Listed: false; 否
• GHS Pictograms: GHS02; GHS06
• GHS Hazard statements: H301-H311-H332-H315-H319-H226
• GHS Precautionary statements: P210-P301+P310-P303+P361+P353-P305+P351+P338-P361-P405-P501A

Product Information

• Purity: 95+%; 98%