3-bromo-5-iodopyridine

• ChemBase ID: 16276
• Molecular Formular: C5H3BrIN
• Molecular Mass: 283.89249
• Monoisotopic Mass: 282.8493591
• SMILES: c1(cncc(c1)Br)I
• Canonical SMILES: Brc1cncc(c1)I
• InChI: InChI=1S/C5H3BrIN/c6-4-1-5(7)3-8-2-4/h1-3H
• InChIKey: AOOZLVWDZUPEHT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-bromo-5-iodopyridine
• IUPAC Traditional name: 3-bromo-5-iodopyridine
• Synonyms: 3-Bromo-5-iodopyridine; 3-Bromo-5-iodopyridine; 3-Bromo-5-iodo-pyridine; 3-溴-5-碘吡啶

Database IDs

• CAS Number: 233770-01-9
• MDL Number: MFCD03086019
• PubChem SID: 160979583
• PubChem CID: 820409

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.4531927
• LogD (pH = 7.4): 2.4532695
• Log P: 2.4532704
• Molar Refractivity: 44.8864 cm^3
• Polarizability: 17.824322 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 127-131 °C; 127-131°C; 131.3-131.4°C

Safety Information

• Storage Warning: Harmful/Irritant/Light Sensitive/Keep Cold/Store under Argon; IRRITANT
• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22-41
• Safety Statements: 26
• TSCA Listed: false
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H302-H318
• GHS Precautionary statements: P280-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 95%; 97%; 98%
• Empirical Formula (Hill Notation): C5H3BrIN

DETAILS

Sigma Aldrich - 691453

Packaging
1 g in glass bottle
250 mg in glass bottle