2,3-dimethoxypyridine

• ChemBase ID: 13719
• Molecular Formular: C7H9NO2
• Molecular Mass: 139.15186
• Monoisotopic Mass: 139.06332853
• SMILES: c1cnc(c(c1)OC)OC
• Canonical SMILES: COc1ncccc1OC
• InChI: InChI=1S/C7H9NO2/c1-9-6-4-3-5-8-7(6)10-2/h3-5H,1-2H3
• InChIKey: QHUHPERZCBUMRK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3-dimethoxypyridine
• IUPAC Traditional name: 2,3-dimethoxypyridine
• Synonyms: 2,3-Dimethoxypyridine; 2,3-Dimethoxypyridine; 2,3-二甲氧基吡啶

Database IDs

• CAS Number: 52605-97-7
• MDL Number: MFCD03095043
• Beilstein Number: 1526067
• PubChem SID: 160977026
• PubChem CID: 4657809

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.0338606
• LogD (pH = 7.4): 1.034678
• Log P: 1.0346884
• Molar Refractivity: 37.141 cm^3
• Polarizability: 14.480115 Å^3
• Polar Surface Area: 31.35 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 98-100°C/16mm; 98-100°C/16mm
• Density: 1.104
• Refractive Index: 1.5205

Safety Information

• Storage Warning: IRRITANT; Irritant
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: false; 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 97%; 98%