3-methoxypyridine

• ChemBase ID: 70999
• Molecular Formular: C6H7NO
• Molecular Mass: 109.12588
• Monoisotopic Mass: 109.05276385
• SMILES: c1c(cccn1)OC
• Canonical SMILES: COc1cccnc1
• InChI: InChI=1S/C6H7NO/c1-8-6-3-2-4-7-5-6/h2-5H,1H3
• InChIKey: UMJSCPRVCHMLSP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methoxypyridine
• IUPAC Traditional name: 3-methyoxypyridine
• Synonyms: 3-Methoxypyridine; 3-Methoxypyridine; 2-METHOXYPYRIDINE; 3-甲氧基吡啶

Database IDs

• CAS Number: 1628-89-3; 7295-76-3
• EC Number: 230-730-7
• MDL Number: MFCD00673022
• PubChem SID: 162036707; 24870620
• PubChem CID: 23719

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.5263967
• LogD (pH = 7.4): 0.59690434
• Log P: 0.5979021
• Molar Refractivity: 30.3643 cm^3
• Polarizability: 11.945398 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 65 °C/15 mmHg(lit.); 65°C/15mm
• Flash Point: 159.8 °F; 71 °C; 71°C
• Density: 1.083; 1.083 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.518(lit.)

Safety Information

• Storage Warning: IRRITANT; Irritant
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36/37/39
• TSCA Listed: false
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: 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): C6H7NO

DETAILS

MP Biomedicals - 05205420

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 469890

Packaging
5 g in glass bottle