4-Bromo-7-nitroquinoline - ≥95% , CAS No.933486-43-2

CAS: 933486-43-2 Cat. No.: B188376 Summenformel: C₉H₅BrN₂O₂ Molekulargewicht: 253.05

GRADE & PURITY ≥95%

Synonyms

AKOS015919856 | MFCD08688608 | SB68940 | FT-0725954 | DTXSID80583003 | 4-bromo-7-nitroquinoline | 4-bromo-7-nitro-quinoline | J-514796

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Specifications

Synonyme

AKOS015919856 | MFCD08688608 | SB68940 | FT-0725954 | DTXSID80583003 | 4-bromo-7-nitroquinoline | 4-bromo-7-nitro-quinoline | J-514796

Spezifikationen & Reinheit

≥95%

Storage

Store at 2-8°C,Protected from light,Argon charged

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥95%

Namen und Kennungen

• Kanonisches Lächeln: C1=CC2=C(C=CN=C2C=C1[N+](=O)[O-])Br
• IUPAC Name: 4-bromo-7-nitroquinoline
• InChIKey: YYOHOYWWIXLLDC-UHFFFAOYSA-N
• INCHI: 1S/C9H5BrN2O2/c10-8-3-4-11-9-5-6(12(13)14)1-2-7(8)9/h1-5H
• Isomere SMILES: C1=CC2=C(C=CN=C2C=C1[N+](=O)[O-])Br
• Molekulargewicht: 253.05
• Reaxy-Rn: 10658678
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10658678&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Quinolines and derivatives
• Subclass: Nitroquinolines and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Nitroquinolines and derivatives
• Alternative Parents: Haloquinolines Nitroaromatic compounds Pyridines and derivatives Benzenoids Aryl bromides Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organonitrogen compounds Organobromides Organic salts Organic oxides Hydrocarbon derivatives Organic cations
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Nitroquinoline - Haloquinoline - Nitroaromatic compound - Aryl bromide - 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 - Organobromide - Organohalogen compound - Organic salt - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic cation - Aromatic heteropolycyclic compound
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Light sensitive
• Molekulargewicht: 253.050 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 251.953 Da
• Monoisotopic Mass: 251.953 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