4-iodopyridine

• ChemBase ID: 64561
• Molecular Formular: C5H4IN
• Molecular Mass: 204.99643
• Monoisotopic Mass: 204.93884713
• SMILES: n1ccc(I)cc1
• Canonical SMILES: Ic1ccncc1
• InChI: InChI=1S/C5H4IN/c6-5-1-3-7-4-2-5/h1-4H
• InChIKey: RTLUPHDWSUGAOS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-iodopyridine
• IUPAC Traditional name: 4-iodopyridine
• Synonyms: p-Iodopyridine; 4-Iodopyridine; 4-Iodopyridine; 对碘吡啶; 4-碘吡啶

Database IDs

• CAS Number: 15854-87-2
• EC Number: 000-000-0
• MDL Number: MFCD02093937
• Beilstein Number: 1594
• PubChem SID: 162030300
• PubChem CID: 609492

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.6715561
• LogD (pH = 7.4): 1.6843517
• Log P: 1.6845179
• Molar Refractivity: 37.2636 cm^3
• Polarizability: 14.653734 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 75-85°C; 94-99 °C; 96-99°C

Safety Information

• Storage Warning: IRRITANT; Irritant/Light Sensitive; Light Sensitive
• European Hazard Symbols: Irritant (Xi); Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22-37/38-41; 36/37/38
• Safety Statements: 26-37; 26-39
• TSCA Listed: false; 否
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H315-H319-H335; H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Storage Temperature: -20°C

Product Information

• Purity: 96%; 97%; 98%
• Empirical Formula (Hill Notation): C5H4IN

DETAILS

Sigma Aldrich - 722170

Packaging
1 g in glass bottle