2-chloro-5-iodopyridine

• ChemBase ID: 16252
• Molecular Formular: C5H3ClIN
• Molecular Mass: 239.44149
• Monoisotopic Mass: 238.89987478
• SMILES: c1(cnc(cc1)Cl)I
• Canonical SMILES: Clc1ccc(cn1)I
• InChI: InChI=1S/C5H3ClIN/c6-5-2-1-4(7)3-8-5/h1-3H
• InChIKey: QWLGCWXSNYKKDO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-5-iodopyridine
• IUPAC Traditional name: 2-chloro-5-iodopyridine
• Synonyms: 2-Chloro-5-iodopyridine; 2-Chloro-5-iodopyridine; 2-氯-5-碘吡啶

Database IDs

• CAS Number: 69045-79-0
• EC Number: 000-000-0
• MDL Number: MFCD01863635
• Beilstein Number: 108889
• PubChem SID: 24873177; 160979559
• PubChem CID: 4397176

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.5087392
• LogD (pH = 7.4): 2.5087397
• Log P: 2.5087397
• Molar Refractivity: 43.1297 cm^3
• Polarizability: 16.714169 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 95-98 °C(lit.); 95-98°C; 95-99°C; 96-98°C

Safety Information

• Storage Warning: Harmful/Irritant/Light Sensitive/Store under Argon/Keep Cold; IRRITANT; Light Sensitive
• European Hazard Symbols: X; Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 20/21/22-36/37/38; 36/37/38
• Safety Statements: 26-36; 26-36/37
• TSCA Listed: false; 否
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H312-H332-H315-H319-H335; H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

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

DETAILS

Sigma Aldrich - 498181

Packaging
2 g in glass bottle