2-chloro-4-iodopyridine

• ChemBase ID: 12412
• Molecular Formular: C5H3ClIN
• Molecular Mass: 239.44149
• Monoisotopic Mass: 238.89987478
• SMILES: c1cnc(cc1I)Cl
• Canonical SMILES: Ic1ccnc(c1)Cl
• InChI: InChI=1S/C5H3ClIN/c6-5-3-4(7)1-2-8-5/h1-3H
• InChIKey: KJKIPRQNFDUULB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-4-iodopyridine
• IUPAC Traditional name: 2-chloro-4-iodopyridine
• Synonyms: 4-Iodo-2-chloropyridine; 2-Chloro-4-iodopyridine; 2-Chloro-4-iodopyridine; 2-Chloro-4-iodo-pyridine; 2-氯-4-碘吡啶

Database IDs

• CAS Number: 153034-86-7
• EC Number: 000-000-0
• MDL Number: MFCD01861983
• Beilstein Number: 108668
• PubChem SID: 160975719; 24883533
• PubChem CID: 1516511

CALCULATED PROPERTIES

• Lipinski's Rule of Five: true
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.508738
• LogD (pH = 7.4): 2.5087397
• Log P: 2.5087397
• Molar Refractivity: 43.1297 cm^3
• Polarizability: 16.709862 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0

PROPERTIES

Physical Property

• Solubility: Chloroform; Ethyl Acetate
• Apperance: Off-White Solid; off-white to light yellow crystal
• Melting Point: 41.2-41.3°C; 42-43 °C(lit.); 42-43°C; 42-44°C; 42-44°C
• Flash Point: >110 °C; >110°C; >230 °F
• Hydrophobicity(logP): 2.594

Safety Information

• Storage Warning: IRRITANT; Irritant/Light Sensitive; Light Sensitive
• European Hazard Symbols: X; Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 20/21/22-36/37/38; 22-41-43
• Safety Statements: 26-36/37; 26-36/37/39
• TSCA Listed: false; 否
• GHS Pictograms: GHS05; GHS06; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H301-H311-H332-H315-H319-H335; H302-H317-H318
• GHS Precautionary statements: P261-P301+P310-P305+P351+P338-P361-P405-P501A; P280-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Faceshields, Gloves

Product Information

• Purity: 95%; 97%; 98%; 99%
• Empirical Formula (Hill Notation): C5H3ClIN

DETAILS

Sigma Aldrich - 647403

Packaging
1, 5 g in glass bottle