6-bromo-4-chloro-3-nitro-quinoline - ≥97% , CAS No.723281-72-9

CAS: 723281-72-9 Cat. No.: B634426 Peso molecular: 287.5 Número EC: 695-117-2 PubChem CID: 21984128

GRADE & PURITY ≥97%

Synonyms

BCP21391 | QUINOLINE, 6-BROMO-4-CHLORO-3-NITRO- | FT-0649619 | AS-37029 | EX-A1413 | A848482 | EN300-31574 | 6-BROMO-4-CHLORO-3-NITROQUINOLINE | 6-Bromo-4-chloro-3-nitro-quinoline | AMY2036 | DTXSID40621172 | AKOS005217093 | J-518387

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

BCP21391 | QUINOLINE, 6-BROMO-4-CHLORO-3-NITRO- | FT-0649619 | AS-37029 | EX-A1413 | A848482 | EN300-31574 | 6-BROMO-4-CHLORO-3-NITROQUINOLINE | 6-Bromo-4-chloro-3-nitro-quinoline | AMY2036 | DTXSID40621172 | AKOS005217093 | J-518387

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Store at -20°C, Argon charged

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: C1=CC2=NC=C(C(=C2C=C1Br)Cl)[N+](=O)[O-]
• IUPAC Name: 6-bromo-4-chloro-3-nitroquinoline
• InChIKey: KHKPVEMMXJCWGP-UHFFFAOYSA-N
• INCHI: 1S/C9H4BrClN2O2/c10-5-1-2-7-6(3-5)9(11)8(4-12-7)13(14)15/h1-4H
• Isómeros SMILES: C1=CC2=NC=C(C(=C2C=C1Br)Cl)[N+](=O)[O-]
• CAS alternativo: 723281-72-9
• PubChem CID: 21984128
• Peso molecular: 287.5

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: 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 Aryl bromides Aryl chlorides Benzenoids Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Organonitrogen compounds Hydrocarbon derivatives Organic oxides Organic salts Organobromides Organochlorides Organic cations
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Nitroquinoline - Haloquinoline - Chloroquinoline - Nitroaromatic compound - Aryl bromide - Aryl chloride - Aryl halide - Pyridine - Benzenoid - Heteroaromatic compound - C-nitro compound - Organic nitro compound - Azacycle - Organic oxoazanium - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organonitrogen compound - Organochloride - Organobromide - Organic nitrogen compound - Organohalogen compound - Organic salt - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic cation - Aromatic heteropolycyclic compound
• Descripción: 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

Propiedades químicas y físicas

• Peso molecular: 287.500 g/mol
• XLogP3: 3.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 285.914 Da
• Monoisotopic Mass: 285.914 Da
• Topological Polar Surface Area: 58.700 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 261.000
• 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