2,6-dichloro-3-iodopyridine

• ChemBase ID: 13682
• Molecular Formular: C5H2Cl2IN
• Molecular Mass: 273.88655
• Monoisotopic Mass: 272.86090243
• SMILES: c1c(nc(c(c1)I)Cl)Cl
• Canonical SMILES: Clc1ccc(c(n1)Cl)I
• InChI: InChI=1S/C5H2Cl2IN/c6-4-2-1-3(8)5(7)9-4/h1-2H
• InChIKey: DPCQIHCGMIPSQV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-dichloro-3-iodopyridine
• IUPAC Traditional name: 2,6-dichloro-3-iodopyridine
• Synonyms: 2,6-Dichloro-3-iodopyridine; 2,6-Dichloro-3-iodopyridine

Database IDs

• CAS Number: 148493-37-2
• MDL Number: MFCD03094686
• PubChem SID: 160976989
• PubChem CID: 2736002

CALCULATED PROPERTIES

• Log P: 3.3329616
• Molar Refractivity: 48.9958 cm^3
• Polarizability: 18.79297 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.3329616
• LogD (pH = 7.4): 3.3329616

PROPERTIES

Physical Property

• Melting Point: 74-79 °C

Safety Information

• Storage Warning: Harmful/Irritant/Keep Cold/Store under Argon; IRRITANT
• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22-37/38-41
• Safety Statements: 26-36
• TSCA Listed: false
• GHS Pictograms: GHS05; GHS06
• GHS Signal Word: Danger
• GHS Hazard statements: H301-H315-H318-H335
• GHS Precautionary statements: P261-P280-P301 + P310-P305 + P351 + P338
• Storage Temperature: 2-8°C

Product Information

• Purity: 97%; 98%
• Empirical Formula (Hill Notation): C5H2Cl2IN

DETAILS

Sigma Aldrich - 751839

Packaging
1 g in glass bottle