5-chloro-8-nitroquinoline - ≥95% , CAS No.6942-98-9

CAS: 6942-98-9 Cat. No.: C337932 Formula: C₉H₅ClN₂O₂ Peso molecolare: 208.6

QUALITÀ & PUREZZA ≥95%

Synonyms

quinoline, 5-chloro-8-nitro-|Quinoline,5-chloro-8-nitro-|5-Chloro-8-nitroquinoline|5-chloro-8-nitro-quinoline

Storage

Room temperature

Shipped In

Normal

Specifiche

Sinonimi

quinoline, 5-chloro-8-nitro- | Quinoline,5-chloro-8-nitro- | 5-Chloro-8-nitroquinoline | 5-chloro-8-nitro-quinoline

Specifiche e purezza

≥95%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥95%

Proprietà del prodotto

pKa

pKₐ: 0.12 (Predicted)

Nomi e identificatori

Pubchem Sid

504758058

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504758058

Sorrisi canonici

C1=CC2=C(C=CC(=C2N=C1)[N+](=O)[O-])Cl

IUPAC Name

5-chloro-8-nitroquinoline

InChIKey

DHRPLGHWWKFRKY-UHFFFAOYSA-N

INCHI

1S/C9H5ClN2O2/c10-7-3-4-8(12(13)14)9-6(7)2-1-5-11-9/h1-5H

Isomeri SMILES

C1=CC2=C(C=CC(=C2N=C1)[N+](=O)[O-])Cl

Peso molecolare

208.6

Reaxy-Rn

165135

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=165135&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Quinolines and derivatives
• Subclass: Haloquinolines
• Intermediate Tree Nodes: Not available
• Direct Parent: Chloroquinolines
• Alternative Parents: Nitroaromatic compounds Pyridines and derivatives Benzenoids Aryl chlorides Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Chloroquinoline - Nitroaromatic compound - Aryl chloride - Aryl halide - Pyridine - Benzenoid - Heteroaromatic compound - C-nitro compound - Organic nitro compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Azacycle - Organic oxide - Organonitrogen compound - Organochloride - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organohalogen compound - Aromatic heteropolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as chloroquinolines. These are compounds containing a quinoline moiety, which carries one or more chlorine atoms.
• 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

Obiettivi associati (umani)

PTH1R Tclin Parathyroid hormone receptor (47172 Activities)

Discover Target: PTH1R

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

Discover Target: ALDH1A1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Obiettivi associati (non umani)

Plasmodium falciparum (966862 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Meccanismi d'azione

Proprietà chimiche e fisiche

• Indice di rifrazione: n20D1.69 (Predicted)
• Punto di ebollizione (°C): ~353.6° C at 760 mmHg (Predicted)
• Punto di fusione (°C): 134-138° C
• Peso molecolare: 208.600 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 208.004 Da
• Monoisotopic Mass: 208.004 Da
• Topological Polar Surface Area: 58.700 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 231.000
• 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