ethyl 4-bromo-6-nitro-quinoline-3-carboxylate - ≥97% , CAS No.1378260-95-7

CAS: 1378260-95-7 Cat. No.: E679956 Molecular Weight: 325.11 PubChem CID: 97033468

GRADE & PURITY ≥97%

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

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%

Product Properties

• ALogP: 2.9

Names and Identifiers

• Canonical Smiles: CCOC(=O)C1=CN=C2C=CC(=CC2=C1Br)[N+](=O)[O-]
• InChIKey: POGCJNPTUXPWOV-UHFFFAOYSA-N
• INCHI: 1S/C12H9BrN2O4/c1-2-19-12(16)9-6-14-10-4-3-7(15(17)18)5-8(10)11(9)13/h3-6H,2H2,1H3
• Isomeric SMILES: CCOC(=O)C1=CN=C2C=CC(=CC2=C1Br)[N+](=O)[O-]
• PubChem CID: 97033468
• Molecular Weight: 325.11

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: Haloquinolines Pyridinecarboxylic acids Nitroaromatic compounds Aryl bromides Benzenoids Vinylogous halides Heteroaromatic compounds Carboxylic acid esters Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Organooxygen compounds Hydrocarbon derivatives Organic oxides Organic salts Organobromides Organonitrogen compounds Organic cations
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Nitroquinoline - Haloquinoline - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - Nitroaromatic compound - Aryl bromide - Aryl halide - Pyridine - Benzenoid - Heteroaromatic compound - Vinylogous halide - Organic nitro compound - Carboxylic acid ester - C-nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Azacycle - Organic oxoazanium - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organonitrogen compound - Organobromide - Organooxygen compound - Organohalogen compound - Organic salt - Hydrocarbon derivative - Organic oxide - 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