6-Bromo-5-nitroquinoline - ≥95% , CAS No.98203-04-4

CAS: 98203-04-4 Cat. No.: B196140 Summenformel: C₉H₅BrN₂O₂ Molekulargewicht: 253.05

GRADE & PURITY ≥95%

Synonyms

6-bromo-5-nitroquinoline|98203-04-4|MFCD00837754|NSC 132317|6-bromo-5-nitro-quinoline|Quinoline, 6-bromo-5-nitro-|NSC132317|SCHEMBL4079065|DTXSID10299726|ISBMTVQQECNRQY-UHFFFAOYSA-N|AKOS015833961|DS-3083|NSC-132317|SY105861|FT-0726910|C77357|EN300-102199|

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

6-bromo-5-nitroquinoline | 98203-04-4 | MFCD00837754 | NSC 132317 | 6-bromo-5-nitro-quinoline | Quinoline, 6-bromo-5-nitro- | NSC132317 | SCHEMBL4079065 | DTXSID10299726 | ISBMTVQQECNRQY-UHFFFAOYSA-N | AKOS015833961 | DS-3083 | NSC-132317 | SY105861 | FT-0726910 | C77357 | EN300-102199 |

Spezifikationen & Reinheit

≥95%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥95%

Namen und Kennungen

Kanonisches Lächeln

C1=CC2=C(C=CC(=C2[N+](=O)[O-])Br)N=C1

IUPAC Name

6-bromo-5-nitroquinoline

InChIKey

ISBMTVQQECNRQY-UHFFFAOYSA-N

INCHI

1S/C9H5BrN2O2/c10-7-3-4-8-6(2-1-5-11-8)9(7)12(13)14/h1-5H

Isomere SMILES

C1=CC2=C(C=CC(=C2[N+](=O)[O-])Br)N=C1

Molekulargewicht

253.05

Reaxy-Rn

166100

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=166100&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 Organopnictogen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
• 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 - Organonitrogen compound - Organobromide - Organohalogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - 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

• Molekulargewicht: 253.050 g/mol
• XLogP3: 2.700
• 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

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 98203-04-4, the molecular formula is C9H5BrN2O2, and the molecular weight is 253.05 g/mol. InChIKey ISBMTVQQECNRQY-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.