5,7-Dichloroquinolin-4-ol - ≥98% , CAS No.171850-29-6

CAS: 171850-29-6 Cat. No.: D191502 Formula: C₉H₅Cl₂NO Peso molecolare: 214.05

GRADE & PURITY ≥98%

Synonyms

A811356 | SCHEMBL7048479 | 5,7-dichloro-1H-quinolin-4-one | AKOS005259311 | 5,7-Dichloro-4-quinolinol; 5,7-Dichloro-4-hydroxyquinoline | 5,7-Dichloro-4-hydroxyquinoline | 5,7-dichloroquinolin-4-ol | 5,7-dichloro-g-hydroxyquinoline | 5,7-dichloro-1,4-dihyd

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinonimi

A811356 | SCHEMBL7048479 | 5,7-dichloro-1H-quinolin-4-one | AKOS005259311 | 5,7-Dichloro-4-quinolinol; 5,7-Dichloro-4-hydroxyquinoline | 5,7-Dichloro-4-hydroxyquinoline | 5,7-dichloroquinolin-4-ol | 5,7-dichloro-g-hydroxyquinoline | 5,7-dichloro-1,4-dihyd

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Store at 2-8°C

Spedito in

Wet ice

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥98%

Nomi e identificatori

Pubchem Sid

528761189

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528761189

Sorrisi canonici

C1=CNC2=C(C1=O)C(=CC(=C2)Cl)Cl

IUPAC Name

5,7-dichloro-1H-quinolin-4-one

InChIKey

GESHSYASHHORJB-UHFFFAOYSA-N

INCHI

1S/C9H5Cl2NO/c10-5-3-6(11)9-7(4-5)12-2-1-8(9)13/h1-4H,(H,12,13)

Isomeri SMILES

C1=CNC2=C(C1=O)C(=CC(=C2)Cl)Cl

Peso molecolare

214.05

Reaxy-Rn

1455558

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1455558&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: 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 halides Vinylogous amides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Haloquinoline - Dihydroquinolone - Chloroquinoline - Dihydroquinoline - Aryl chloride - Aryl halide - Pyridine - Benzenoid - Heteroaromatic compound - Vinylogous amide - Vinylogous halide - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
• Descrizione: 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

Proprietà chimiche e fisiche

• Peso molecolare: 214.040 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 212.975 Da
• Monoisotopic Mass: 212.975 Da
• Topological Polar Surface Area: 29.100 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 254.000
• 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