2,3-dichloro-4-iodopyridine

• ChemBase ID: 32991
• Molecular Formular: C5H2Cl2IN
• Molecular Mass: 273.88655
• Monoisotopic Mass: 272.86090243
• SMILES: c1(c(nccc1I)Cl)Cl
• Canonical SMILES: Clc1c(I)ccnc1Cl
• InChI: InChI=1S/C5H2Cl2IN/c6-4-3(8)1-2-9-5(4)7/h1-2H
• InChIKey: WRPBPDPXVUBWCR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3-dichloro-4-iodopyridine
• IUPAC Traditional name: 2,3-dichloro-4-iodopyridine
• Synonyms: 2,3-Dichloro-4-iodopyridine; 2,3-Dichloro-4-iodopyridine; 2,3-二氯-4-碘吡啶

Database IDs

• CAS Number: 889865-45-6
• MDL Number: MFCD11857737
• PubChem SID: 160996298
• PubChem CID: 44887038

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.1127844
• LogD (pH = 7.4): 3.1127844
• Log P: 3.1127844
• Molar Refractivity: 47.9345 cm^3
• Polarizability: 18.769714 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 109-113 °C; 112 - 113 °C

Safety Information

• Storage Warning: IRRITANT
• European Hazard Symbols: Harmful (Xn)
• UN Number: 2811
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 3
• Risk Statements: 22-36
• Safety Statements: 26
• TSCA Listed: false
• GHS Pictograms: GHS06
• GHS Signal Word: Danger
• GHS Hazard statements: H301-H319
• GHS Precautionary statements: P301 + P310-P305 + P351 + P338
• RID/ADR: UN 2811 6.1/PG 3

Product Information

• Purity: >95%; 95%; 95+%; 97%
• Empirical Formula (Hill Notation): C5H2Cl2IN

DETAILS

Sigma Aldrich - 730564

Packaging
1 g in glass bottle