7-Chloroquinoline - ≥98%(GC) , CAS No.612-61-3

CAS: 612-61-3 Cat. No.: C153507 Fórmula: C₉H₆ClN Peso molecular: 163.6 Número EC: 612-108-0

GRADE & PURITY ≥98%(GC)

Synonyms

FT-0654074 | DS-1019 | FS-3122 | SB67608 | C3085 | MFCD00956370 | A26294 | J-519225 | AKOS015851204 | 7-chloroquinoline | 7-Chloro-quinoline | 7-chloroquinoline, AldrichCPR | BDBM50571375 | AC-6212 | EN300-114066 | Quinoline, 7-chloro- | SCHEMBL317870 | D

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

FT-0654074 | DS-1019 | FS-3122 | SB67608 | C3085 | MFCD00956370 | A26294 | J-519225 | AKOS015851204 | 7-chloroquinoline | 7-Chloro-quinoline | 7-chloroquinoline, AldrichCPR | BDBM50571375 | AC-6212 | EN300-114066 | Quinoline, 7-chloro- | SCHEMBL317870 | D

Especificaciones y pureza

≥98%(GC)

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C,Argon charged

Enviado en

Wet ice

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

Pureza

≥98%(GC)

Nombres e identificadores

Pubchem Sid

504759108

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504759108

Sonrisas canónicas

C1=CC2=C(C=C(C=C2)Cl)N=C1

IUPAC Name

7-chloroquinoline

InChIKey

QNGUPQRODVPRDC-UHFFFAOYSA-N

INCHI

1S/C9H6ClN/c10-8-4-3-7-2-1-5-11-9(7)6-8/h1-6H

Isómeros SMILES

C1=CC2=C(C=C(C=C2)Cl)N=C1

Peso molecular

163.6

Reaxy-Rn

112904

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=112904&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Quinolines and derivatives
• Subclass: Haloquinolines
• Intermediate Tree Nodes: Not available
• Direct Parent: Chloroquinolines
• Alternative Parents: Pyridines and derivatives Benzenoids Aryl chlorides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Chloroquinoline - Benzenoid - Pyridine - Aryl halide - Aryl chloride - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Organohalogen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as chloroquinolines. These are compounds containing a quinoline moiety, which carries one or more chlorine atoms.
• 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

• Solubilidad: Soluble in Methanol
• Sensibilidad: Air Sensitive,Heat Sensitive
• Punto de inflamación (°C): 145 °C
• Punto de ebullición (°C): 268°C(lit.)
• Punto de fusión (°C): 33 °C
• Peso molecular: 163.600 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 163.019 Da
• Monoisotopic Mass: 163.019 Da
• Topological Polar Surface Area: 12.900 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, and how is it determined?

This product is supplied at ≥98% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

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

The CAS Number is 612-61-3, the molecular formula is C9H6ClN, and the molecular weight is 163.6 g/mol. InChIKey QNGUPQRODVPRDC-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.