7-Chloro-8-methyl-2-(trifluoromethyl)quinolin-4-ol - ≥97% , CAS No.59108-10-0

CAS: 59108-10-0 Cat. No.: C337577 Molecular Weight: 261.63 PubChem CID: 43668129

GRADE & PURITY ≥97%

Synonyms

AKOS015851222 | MFCD11053892 | 7-Chloro-8-methyl-2-(trifluoromethyl)quinolin-4(1H)-one | 7-chloro-8-methyl-2-(trifluoromethyl)-1H-quinolin-4-one | BS-28979 | FT-0704667 | SB68774 | DTXSID20656285 | 7-Chloro-8-methyl-2-(trifluoromethyl)quinolin-4-ol | 7-Ch

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

AKOS015851222 | MFCD11053892 | 7-Chloro-8-methyl-2-(trifluoromethyl)quinolin-4(1H)-one | 7-chloro-8-methyl-2-(trifluoromethyl)-1H-quinolin-4-one | BS-28979 | FT-0704667 | SB68774 | DTXSID20656285 | 7-Chloro-8-methyl-2-(trifluoromethyl)quinolin-4-ol | 7-Ch

Specifications & Purity

≥97%

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 504770218
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504770218
• Canonical Smiles: CC1=C(C=CC2=C1NC(=CC2=O)C(F)(F)F)Cl
• IUPAC Name: 7-chloro-8-methyl-2-(trifluoromethyl)-1H-quinolin-4-one
• InChIKey: FDSQFEVGEIRTEF-UHFFFAOYSA-N
• INCHI: 1S/C11H7ClF3NO/c1-5-7(12)3-2-6-8(17)4-9(11(13,14)15)16-10(5)6/h2-4H,1H3,(H,16,17)
• Isomeric SMILES: CC1=C(C=CC2=C1NC(=CC2=O)C(F)(F)F)Cl
• PubChem CID: 43668129
• Molecular Weight: 261.63

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Quinolines and derivatives
      • Subclass Quinolones and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Quinolines and derivatives
• Subclass: Quinolones and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Hydroquinolones
• Alternative Parents: Chloroquinolines Hydroquinolines Pyridines and derivatives Benzenoids Aryl chlorides Vinylogous amides Heteroaromatic compounds Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organofluorides Organochlorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Haloquinoline - Dihydroquinolone - Chloroquinoline - Dihydroquinoline - Aryl chloride - Aryl halide - Pyridine - Benzenoid - Heteroaromatic compound - Vinylogous amide - Azacycle - Organooxygen compound - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - Alkyl fluoride - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as hydroquinolones. These are compounds containing a hydrogenated quinoline bearing a ketone group.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Molecular Weight: 261.630 g/mol
• XLogP3: 3.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 261.017 Da
• Monoisotopic Mass: 261.017 Da
• Topological Polar Surface Area: 29.100 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 366.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1