2,6-dimethoxypyridine

• ChemBase ID: 74372
• Molecular Formular: C7H9NO2
• Molecular Mass: 139.15186
• Monoisotopic Mass: 139.06332853
• SMILES: n1c(cccc1OC)OC
• Canonical SMILES: COc1cccc(n1)OC
• InChI: InChI=1S/C7H9NO2/c1-9-6-4-3-5-7(8-6)10-2/h3-5H,1-2H3
• InChIKey: IBTGEEMBZJBBSH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-dimethoxypyridine
• IUPAC Traditional name: pyridine, 2,6-dimethoxy-
• Synonyms: 2,6-Dimethoxypyridine; 2,6-Dimethoxypyridine; 2,6-二甲氧基吡啶

Database IDs

• CAS Number: 6231-18-1
• EC Number: 228-334-4
• MDL Number: MFCD00006266
• Beilstein Number: 1525332
• PubChem SID: 24893273; 162039291
• PubChem CID: 80378

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.6290861
• LogD (pH = 7.4): 1.6291451
• Log P: 1.6291459
• Molar Refractivity: 37.4545 cm^3
• Polarizability: 14.481533 Å^3
• Polar Surface Area: 31.35 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 178-180 °C(lit.); 178-180°C; 178-180°C
• Flash Point: 143.6 °F; 61°C; 61°C(141°F); 62 °C
• Density: 1.05; 1.053 g/mL at 25 °C(lit.); 1.054
• Refractive Index: 1.5030; n20/D 1.503(lit.)

Safety Information

• Storage Warning: Harmful
• European Hazard Symbols: Irritant (Xi); Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22-37/38-41; 36/37/38
• Safety Statements: 26-37; 26-39
• TSCA Listed: 否
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H302-H315-H318-H335; H315-H319-H335-H227
• GHS Precautionary statements: P210-P305+P351+P338-P302+P352-P321-P405-P501A; P261-P280-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: 98%; 98+%
• Empirical Formula (Hill Notation): C7H9NO2

DETAILS

MP Biomedicals - 05202353

MP Biomedicals Rare Chemical collection

Sigma Aldrich - D137006

Packaging
25, 100 g in glass bottle