6-Nitroquinoline - ≥98% , CAS No.613-50-3

CAS: 613-50-3 Cat. No.: N122687 Summenformel: C₉H₆N₂O₂ Molekulargewicht: 174.16 Beilstein Registry Number: 136138 EG-Nummer: 210-346-6

GRADE & PURITY ≥98%

Synonyms

NSC 4141 | 5-20-07-00326 (Beilstein Handbook Reference) | InChI=1/C9H6N2O2/c12-11(13)8-3-4-9-7(6-8)2-1-5-10-9/h1-6 | UNII-7033583N3J | BBL034646 | BCP27373 | J-200080 | AC-5110 | AI3-08863 | CCRIS 456 | SR-01000473458-1 | A15691 | MFCD00006799 | AMY23304

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

NSC 4141 | 5-20-07-00326 (Beilstein Handbook Reference) | InChI=1/C9H6N2O2/c12-11(13)8-3-4-9-7(6-8)2-1-5-10-9/h1-6 | UNII-7033583N3J | BBL034646 | BCP27373 | J-200080 | AC-5110 | AI3-08863 | CCRIS 456 | SR-01000473458-1 | A15691 | MFCD00006799 | AMY23304

Spezifikationen & Reinheit

≥98%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

• Pubchem Sid: 488181492
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488181492
• Kanonisches Lächeln: C1=CC2=C(C=CC(=C2)[N+](=O)[O-])N=C1
• IUPAC Name: 6-nitroquinoline
• InChIKey: SMHPLBXIVNQFBA-UHFFFAOYSA-N
• INCHI: 1S/C9H6N2O2/c12-11(13)8-3-4-9-7(6-8)2-1-5-10-9/h1-6H
• Isomere SMILES: C1=CC2=C(C=CC(=C2)[N+](=O)[O-])N=C1
• WGK Deutschland: 3
• RTECS: VC1900000
• Molekulargewicht: 174.16
• Beilstein: 136138
• Reaxy-Rn: 136138
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=136138&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: Nitroaromatic compounds Pyridines and derivatives Benzenoids Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Nitroquinoline - Nitroaromatic compound - Pyridine - Benzenoid - Heteroaromatic compound - C-nitro compound - Organic nitro compound - Organic oxoazanium - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - 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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Slightly soluble in water; Soluble in Benzene,Chloroform,Ethanol,Ether
• Schmelzpunkt (°C): 151-153°C
• Molekulargewicht: 174.160 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 174.043 Da
• Monoisotopic Mass: 174.043 Da
• Topological Polar Surface Area: 58.700 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 202.000
• 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 ≥98% 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 613-50-3, the molecular formula is C9H6N2O2, and the molecular weight is 174.16 g/mol. InChIKey SMHPLBXIVNQFBA-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.