2-bromo-5-iodopyridine

• ChemBase ID: 29768
• Molecular Formular: C5H3BrIN
• Molecular Mass: 283.89249
• Monoisotopic Mass: 282.8493591
• SMILES: c1(ccc(cn1)I)Br
• Canonical SMILES: Brc1ccc(cn1)I
• InChI: InChI=1S/C5H3BrIN/c6-5-2-1-4(7)3-8-5/h1-3H
• InChIKey: LLKRSJVPTKFSLS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-5-iodopyridine
• IUPAC Traditional name: 2-bromo-5-iodopyridine
• Synonyms: 2-Bromo-5-iodopyridine; 2-Bromo-5-iodopyridine; 2-溴-5-碘吡啶

Database IDs

• CAS Number: 73290-22-9
• EC Number: 000-000-0
• MDL Number: MFCD03095201
• Beilstein Number: 109100
• PubChem SID: 24883891; 160993075
• PubChem CID: 4738271

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.6587918
• LogD (pH = 7.4): 2.6587925
• Log P: 2.6587925
• Molar Refractivity: 45.7286 cm^3
• Polarizability: 17.868404 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 121-123 °C(lit.); 121-123°C; 123-124°C; 123-124°C

Safety Information

• Storage Warning: IRRITANT; Light Sensitive
• European Hazard Symbols: Irritant (Xi); Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22-37/38-41; 36/37/38
• Safety Statements: 26-36/39; 26-37
• TSCA Listed: false; 否
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H302-H315-H318-H335; H315-H319-H335
• GHS Precautionary statements: P261-P280-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 96%; 97%; 98%
• Empirical Formula (Hill Notation): C5H3BrIN

DETAILS

Sigma Aldrich - 652598

Other Notes
Light sensitive
Packaging
5, 25 g in glass bottle
Warning
Irritant