5-bromo-2-ethoxypyridine

• ChemBase ID: 29758
• Molecular Formular: C7H8BrNO
• Molecular Mass: 202.04852
• Monoisotopic Mass: 200.97892588
• SMILES: c1(ccc(cn1)Br)OCC
• Canonical SMILES: CCOc1ccc(cn1)Br
• InChI: InChI=1S/C7H8BrNO/c1-2-10-7-4-3-6(8)5-9-7/h3-5H,2H2,1H3
• InChIKey: WQXZKMUZWPUZGL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-bromo-2-ethoxypyridine
• IUPAC Traditional name: 5-bromo-2-ethoxypyridine
• Synonyms: 5-Bromo-2-ethoxypyridine; 5-Bromo-2-ethoxypyridine; 5-Bromo-2-ethoxypyridine 97%; 5-溴-2-乙氧基吡啶

Database IDs

• CAS Number: 55849-30-4
• MDL Number: MFCD00234311
• PubChem SID: 24883451; 160993065
• PubChem CID: 817237

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.3179023
• LogD (pH = 7.4): 2.31792
• Log P: 2.3179202
• Molar Refractivity: 43.0492 cm^3
• Polarizability: 16.656364 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 32-36 °C(lit.); 32-36°C; 32-36°C
• Flash Point: >110°C(230°F); 103 °C; 217.4 °F

Safety Information

• Storage Warning: Harmful/Air Sensitive/Store under Argon; IRRITANT
• European Hazard Symbols: X; Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22-37/38-41
• Safety Statements: 26-36/37/39; 26-36/39
• TSCA Listed: false; 否
• GHS Pictograms: GHS05; GHS06; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H301-H315-H335-H318; H302-H315-H317-H318-H335
• GHS Precautionary statements: P261-P280-P305 + P351 + P338; P261-P301+P310-P305+P351+P338-P302+P352-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Faceshields, Gloves

Product Information

• Purity: 97%; 98%
• Empirical Formula (Hill Notation): C7H8BrNO

DETAILS

Sigma Aldrich - 646326

Packaging
1, 5 g in glass bottle