5,6-Dichloronicotinic acid

Base Information

• Chemical Name: 5,6-Dichloronicotinic acid
• CAS No.: 41667-95-2
• Molecular Formula: C6H3Cl2NO2
• Molecular Weight: 192.001
• Hs Code.: 29339900
• NSC Number: 63885
• DSSTox Substance ID: DTXSID20289779
• Nikkaji Number: J89.416H
• Wikidata: Q72467045
• Mol file: 41667-95-2.mol

Synonyms:5,6-dichloronicotinic acid

Chemical Property of 5,6-Dichloronicotinic acid

Chemical Property:

• Appearance/Colour: white to off-white crystalline powder
• Vapor Pressure: 2.96E-05mmHg at 25°C
• Melting Point: 164-168 °C(lit.)
• Refractive Index: 1.605
• Boiling Point: 342.1 °C at 760 mmHg
• PKA: 2.87±0.10(Predicted)
• Flash Point: 160.7 °C
• PSA: 50.19000
• Density: 1.612 g/cm³
• LogP: 2.08660
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 190.9540837
• Heavy Atom Count: 11
• Complexity: 165

Purity/Quality:

99% ^*data from raw suppliers

5,6-Dichloro- ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 22-24/25-36-26

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=C(C=NC(=C1Cl)Cl)C(=O)O
• Uses: 5,6-Dichloropyridine-3-carboxylic acid (5,6-Dichloronicotinic acid) was used in the preparation of 5-chloro-6-iodonicotinic acid by iodine displacement.