Quinoline-N-oxide - ≥98% , CAS No.1613-37-2

CAS: 1613-37-2 Cat. No.: Q189042 Fórmula: C₉H₇NO Peso molecular: 145.16 Número EC: 216-560-6 PubChem CID: 15366

GRADE & PURITY ≥98%

Synonyms

SY059745 | A810250 | SB67448 | GS-6743 | GIIWGCBLYNDKBO-UHFFFAOYSA-N | 1-oxido-quinolin-1-ium | 1-oxidoquinolin-1-ium | Quinoline 1-oxide | SCHEMBL9531 | 1-Oxo-1lambda~5~-quinoline | QUINOLINE, 1-OXIDE | FT-0633705 | Quinoline oxide | H10194 | DTXSID00167

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Sinónimos

SY059745 | A810250 | SB67448 | GS-6743 | GIIWGCBLYNDKBO-UHFFFAOYSA-N | 1-oxido-quinolin-1-ium | 1-oxidoquinolin-1-ium | Quinoline 1-oxide | SCHEMBL9531 | 1-Oxo-1lambda~5~-quinoline | QUINOLINE, 1-OXIDE | FT-0633705 | Quinoline oxide | H10194 | DTXSID00167

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature,Argon charged

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

Pubchem Sid

504752657

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504752657

Sonrisas canónicas

C1=CC=C2C(=C1)C=CC=[N+]2[O-]

IUPAC Name

1-oxidoquinolin-1-ium

InChIKey

GIIWGCBLYNDKBO-UHFFFAOYSA-N

INCHI

1S/C9H7NO/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H

Isómeros SMILES

C1=CC=C2C(=C1)C=CC=[N+]2[O-]

PubChem CID

15366

Peso molecular

145.16

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Quinolines and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Quinolines and derivatives
• Alternative Parents: Pyridinium derivatives Benzenoids Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Quinoline - Benzenoid - Pyridinium - Pyridine - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as quinolines and derivatives. These are compounds containing a quinoline moiety, which consists of a benzene ring fused to a pyrimidine ring to form benzo[b]azabenzene.
• 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

Mecanismos de acción

Propiedades químicas y físicas

• Sensibilidad: Hygroscopic
• Punto de ebullición (°C): 172 °C/4 mmHg
• Punto de fusión (°C): 49 °C
• Peso molecular: 145.160 g/mol
• XLogP3: 0.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 145.053 Da
• Monoisotopic Mass: 145.053 Da
• Topological Polar Surface Area: 25.500 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 138.000
• 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

Preguntas frecuentes

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 under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

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 1613-37-2, the molecular formula is C9H7NO, and the molecular weight is 145.16 g/mol. InChIKey GIIWGCBLYNDKBO-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.