4-Chloro-7-nitroquinoline - ≥97% , CAS No.18436-76-5

CAS: 18436-76-5 Cat. No.: C587804 Formule: C₉H₅ClN₂O₂ Poids moléculaire: 208.60 Numéro CE: 818-548-1

GRADE & PURITY ≥97%

Synonyms

EN300-174919 | UPZGWWDLHRREJM-UHFFFAOYSA-N | AKOS022182725 | MFCD08688612 | SB71618 | DTXSID70488856 | SCHEMBL1885566 | 4-CHLORO-7-NITROQUINOLINE | AS-42320

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Specifications

Synonymes

EN300-174919 | UPZGWWDLHRREJM-UHFFFAOYSA-N | AKOS022182725 | MFCD08688612 | SB71618 | DTXSID70488856 | SCHEMBL1885566 | 4-CHLORO-7-NITROQUINOLINE | AS-42320

Spécifications et pureté

≥97%

Conditions de stockage de stockage

Store at 2-8°C,Desiccated

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥97%

Noms et identifiants

Sourires canoniques

C1=CC2=C(C=CN=C2C=C1[N+](=O)[O-])Cl

IUPAC Name

4-chloro-7-nitroquinoline

InChIKey

UPZGWWDLHRREJM-UHFFFAOYSA-N

INCHI

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

Isomères SMILES

C1=CC2=C(C=CN=C2C=C1[N+](=O)[O-])Cl

Poids moléculaire

208.60

Reaxy-Rn

1285181

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1285181&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: 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 Organonitrogen compounds Organochlorides Organic salts Organic oxides Hydrocarbon derivatives Organic cations
• 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 - Organic nitrogen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic salt - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic cation - 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

Propriétés chimiques et physiques

• Poids moléculaire: 208.600 g/mol
• XLogP3: 2.800
• 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