2-bromo-6-methoxypyridine

• ChemBase ID: 16339
• Molecular Formular: C6H6BrNO
• Molecular Mass: 188.02194
• Monoisotopic Mass: 186.96327582
• SMILES: c1(nc(ccc1)Br)OC
• Canonical SMILES: COc1cccc(n1)Br
• InChI: InChI=1S/C6H6BrNO/c1-9-6-4-2-3-5(7)8-6/h2-4H,1H3
• InChIKey: KMODISUYWZPVGV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-6-methoxypyridine
• IUPAC Traditional name: 2-bromo-6-methoxypyridine
• Synonyms: 2-Bromo-6-methoxypyridine; 2-Bromo-6-methoxypyridine; 2-溴-6-甲氧基吡啶

Database IDs

• CAS Number: 40473-07-2
• MDL Number: MFCD00044809; MFCD00088345
• PubChem SID: 160979646; 24874145
• PubChem CID: 256810

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.166634
• LogD (pH = 7.4): 2.1666343
• Log P: 2.1666343
• Molar Refractivity: 39.1428 cm^3
• Polarizability: 14.902889 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 206 °C(lit.); 206°C
• Flash Point: 104 °C; 104°C(219°F); 219.2 °F
• Density: 1.53 g/mL at 25 °C(lit.); 1.530
• Refractive Index: 1.5600; n20/D 1.559(lit.)
• Hydrophobicity(logP): 2.369

Safety Information

• Storage Warning: Harmful; IRRITANT
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36; 26-37
• TSCA Listed: false; 否
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P280G-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%; 98+%; 99%
• Empirical Formula (Hill Notation): C6H6BrNO

DETAILS

Sigma Aldrich - 520535

Packaging
5 mL in glass bottle