2-chloro-3-iodopyridine

• ChemBase ID: 16242
• Molecular Formular: C5H3ClIN
• Molecular Mass: 239.44149
• Monoisotopic Mass: 238.89987478
• SMILES: c1cnc(c(c1)I)Cl
• Canonical SMILES: Ic1cccnc1Cl
• InChI: InChI=1S/C5H3ClIN/c6-5-4(7)2-1-3-8-5/h1-3H
• InChIKey: OHWSWGXNZDSHLM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-3-iodopyridine
• IUPAC Traditional name: 2-chloro-3-iodopyridine
• Synonyms: 3-Iodo-2-chloropyridine; 2-Chloro-3-iodopyridine; 2-Chloro-3-iodopyridine; 2-Chloro-3-iodo-pyridine; 2-Chloro-3-iodopyridine; 2-氯-3-碘吡啶

Database IDs

• CAS Number: 78607-36-0
• EC Number: 000-000-0
• MDL Number: MFCD00661298
• Beilstein Number: 4243304
• PubChem SID: 160979549
• PubChem CID: 2735743

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.508739
• LogD (pH = 7.4): 2.5087397
• Log P: 2.5087397
• Molar Refractivity: 43.1297 cm^3
• Polarizability: 16.73032 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform; Ethyl Acetate
• Apperance: light yellow to yellow powder; Off-White Solid
• Melting Point: 90-95 °C; 92-93°C; 93-97°C; 93-97°C

Safety Information

• Storage Warning: Harmful/Irritant/Light Sensitive/Store under Argon/Keep Cold; IRRITANT; Light Sensitive
• European Hazard Symbols: X; Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 20/21/22-36/37/38; 22-41
• Safety Statements: 26-36/37; 26-37-39
• TSCA Listed: false; 否
• GHS Pictograms: GHS05; GHS06; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H301-H311-H332-H315-H319-H335; H302-H318
• GHS Precautionary statements: P261-P301+P310-P305+P351+P338-P361-P405-P501A; P280-P305 + P351 + P338

Product Information

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

DETAILS

Sigma Aldrich - 716030

Packaging
1, 5 g in glass bottle