2,7,8-Trimethylquinoline-3-carboxylic acid

Base Information

• Chemical Name: 2,7,8-Trimethylquinoline-3-carboxylic acid
• CAS No.: 92513-34-3
• Molecular Formula: C13H13NO2
• Molecular Weight: 215.24800
• Hs Code.: 2933499090
• European Community (EC) Number: 804-479-4
• DSSTox Substance ID: DTXSID30588902
• Wikidata: Q82481899
• Mol file: 92513-34-3.mol

Synonyms:2,7,8-Trimethylquinoline-3-carboxylic acid;92513-34-3;2,7,8-TRIMETILQUINOLINE-3-CARBOXYLIC ACID;DTXSID30588902;MFCD08437591;AB45161;MCULE-3865233554;CS-0458063;2,7,8-Trimethylquinoline-3-carboxylic acid, AldrichCPR

Chemical Property of 2,7,8-Trimethylquinoline-3-carboxylic acid

Chemical Property:

• Vapor Pressure: 2.74E-06mmHg at 25°C
• Boiling Point: 375oC at 760 mmHg
• Flash Point: 180.6oC
• PSA: 50.19000
• Density: 1.208g/cm3
• LogP: 2.85820
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 215.094628657
• Heavy Atom Count: 16
• Complexity: 279

Purity/Quality:

2,7,8-Trimethylquinoline-3-carboxylic acid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22-36
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C2=NC(=C(C=C2C=C1)C(=O)O)C)C