2-Chloro-5,6-dimethylnicotinic acid

Base Information

• Chemical Name: 2-Chloro-5,6-dimethylnicotinic acid
• CAS No.: 120003-75-0
• Molecular Formula: C8H8ClNO2
• Molecular Weight: 185.61
• Hs Code.: 2933399090
• European Community (EC) Number: 866-858-0
• DSSTox Substance ID: DTXSID90424377
• Wikidata: Q82236925
• Mol file: 120003-75-0.mol

Synonyms:2-Chloro-5,6-dimethylnicotinic acid;120003-75-0;2-chloro-5,6-dimethylpyridine-3-carboxylic acid;2-Chloro-5,6-dimethyl-nicotinic acid;2-chloro-5,6-dimethyl nicotinic acid;3-Pyridinecarboxylic acid, 2-chloro-5,6-dimethyl-;CS-WAA0101;SCHEMBL9703855;DTXSID90424377;HMS1703G03;2-Chloro-5,6-dimethylnicotinicacid;AMY17394;BCP21578;MFCD07801116;AKOS000303181;SB54018;DS-17210;CS-0035046;FT-0664647;O10731;EN300-6732612;2-Chloro-5,6-diMethyl-3-pyridinecarboxylic Acid;W-205075;Z1198175193

Chemical Property of 2-Chloro-5,6-dimethylnicotinic acid

Chemical Property:

• Melting Point: 170-173°C
• Boiling Point: 347.3±37.0 °C(Predicted)
• PKA: 2.33±0.32(Predicted)
• PSA: 50.19000
• Density: 1.328±0.06 g/cm3(Predicted)
• LogP: 2.05000
• Storage Temp.: -20°C Freezer
• Solubility.: Chloroform, Dichloromethane, Methanol
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 185.0243562
• Heavy Atom Count: 12
• Complexity: 186

Purity/Quality:

98%min ^*data from raw suppliers

2-Chloro-5,6-dimethyl-nicotinic acid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(N=C1C)Cl)C(=O)O
• Uses: An intermediate in the preparation of Omeprazole metabolites.