2-bromo-3-iodopyridine

• ChemBase ID: 143008
• Molecular Formular: C5H3BrIN
• Molecular Mass: 283.89249
• Monoisotopic Mass: 282.8493591
• SMILES: c1cc(c(nc1)Br)I
• Canonical SMILES: Ic1cccnc1Br
• InChI: InChI=1S/C5H3BrIN/c6-5-4(7)2-1-3-8-5/h1-3H
• InChIKey: FZBHCYSESMFQJL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-3-iodopyridine
• IUPAC Traditional name: 2-bromo-3-iodopyridine
• Synonyms: 2-Bromo-3-iodopyridine; 2-溴-3-碘吡啶

Database IDs

• CAS Number: 265981-13-3
• MDL Number: MFCD09056782
• PubChem SID: 162237233
• PubChem CID: 11358068

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.6587915
• LogD (pH = 7.4): 2.6587925
• Log P: 2.6587925
• Molar Refractivity: 45.7286 cm^3
• Polarizability: 17.874954 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 95-100 °C

Safety Information

• European Hazard Symbols: Nature polluting (N); Harmful (Xn)
• UN Number: 3077
• German water hazard class: 3
• Hazard Class: 9
• Packing Group: 3
• Risk Statements: 22-41-50/53
• Safety Statements: 26-39-60-61
• GHS Pictograms: GHS05; GHS07; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H302-H318-H400
• GHS Precautionary statements: P273-P280-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Faceshields, Gloves
• RID/ADR: UN 3077 9/PG 3

Product Information

• Empirical Formula (Hill Notation): C5H3BrIN

DETAILS

Sigma Aldrich - 704857

Packaging
1 g in glass bottle