2-chloro-6-methoxypyridine

• ChemBase ID: 67319
• Molecular Formular: C6H6ClNO
• Molecular Mass: 143.57094
• Monoisotopic Mass: 143.0137915
• SMILES: c1(cccc(n1)OC)Cl
• Canonical SMILES: COc1cccc(n1)Cl
• InChI: InChI=1S/C6H6ClNO/c1-9-6-4-2-3-5(7)8-6/h2-4H,1H3
• InChIKey: VAVGOGHLNAJECD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-6-methoxypyridine
• IUPAC Traditional name: pyridine, 2-chloro-6-methoxy-
• Synonyms: 2-Chloro-6-methoxypyridine; 2-Chloro-6-methoxypyridine; 2-氯-6-甲氧基吡啶

Database IDs

• CAS Number: 17228-64-7
• EC Number: 241-264-9
• MDL Number: MFCD00006265
• Beilstein Number: 1364500
• PubChem SID: 162033055; 24849255
• PubChem CID: 87009

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.0165813
• LogD (pH = 7.4): 2.0165815
• Log P: 2.0165815
• Molar Refractivity: 36.5439 cm^3
• Polarizability: 13.911509 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 185-186 °C(lit.); 185-186°C; 185-186°C
• Flash Point: 168.8 °F; 76 °C; 76°C; 76°C(168°F)
• Density: 1.207; 1.207 g/mL at 25 °C(lit.)
• Refractive Index: 1.5280; n20/D 1.528(lit.)
• Hydrophobicity(logP): 2.219

Safety Information

• Storage Warning: IRRITANT; Irritant/Store under Argon
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36/37/39; 26-37
• TSCA Listed: false; 否
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335; H315-H319-H335-H227
• GHS Precautionary statements: P210-P305+P351+P338-P302+P352-P321-P405-P501A; 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%; 95+%; 98%
• Empirical Formula (Hill Notation): C6H6ClNO

DETAILS

Sigma Aldrich - 152730

Packaging
5, 25 g in glass bottle