8-Chloro-5-nitroquinoline - ≥98% , CAS No.22539-55-5

CAS: 22539-55-5 Cat. No.: C182966 Molecular Weight: 208.60 EC Number: 835-196-4

GRADE & PURITY ≥98%

Synonyms

A878511 | F2179-0004 | AB01317911-02 | SMSF0004793 | Z235362951 | SB71761 | NCGC00322172-01 | 8-Chloro-5-nitroquinoline | AKOS000117966 | VB33470000 | DTXSID70291241 | FT-0739957 | D97518 | SMSSF-0081200 | NSC74384 | NSC-74384 | AKOS015910225 | SY168342 |

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

A878511 | F2179-0004 | AB01317911-02 | SMSF0004793 | Z235362951 | SB71761 | NCGC00322172-01 | 8-Chloro-5-nitroquinoline | AKOS000117966 | VB33470000 | DTXSID70291241 | FT-0739957 | D97518 | SMSSF-0081200 | NSC74384 | NSC-74384 | AKOS015910225 | SY168342 |

Specifications & Purity

≥98%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

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

Purity

≥98%

Names and Identifiers

• Canonical Smiles: C1=CC2=C(C=CC(=C2N=C1)Cl)[N+](=O)[O-]
• IUPAC Name: 8-chloro-5-nitroquinoline
• InChIKey: XSJNIKQCTPVESL-UHFFFAOYSA-N
• INCHI: 1S/C9H5ClN2O2/c10-7-3-4-8(12(13)14)6-2-1-5-11-9(6)7/h1-5H
• Isomeric SMILES: C1=CC2=C(C=CC(=C2N=C1)Cl)[N+](=O)[O-]
• Molecular Weight: 208.60
• Reaxy-Rn: 165202
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=165202&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Quinolines and derivatives
• Subclass: Nitroquinolines and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Nitroquinolines and derivatives
• Alternative Parents: Chloroquinolines 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: Nitroquinoline - Haloquinoline - Chloroquinoline - Nitroaromatic compound - Aryl chloride - Aryl halide - Pyridine - Benzenoid - Heteroaromatic compound - C-nitro compound - Organic nitro compound - Organic oxoazanium - Azacycle - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as nitroquinolines and derivatives. These are compounds containing a nitro group attached to a quinoline moiety.
• 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: 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