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

CAS: 612-61-3 Cat. No.: C153507 Formula: C₉H₆ClN Peso molecolare: 163.6 Numero 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

Sinonimi

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

Specifiche e purezza

≥98%(GC)

Condizioni di conservazione di stoccaggio

Store at 2-8°C,Argon charged

Spedito in

Wet ice

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥98%(GC)

Nomi e identificatori

Pubchem Sid

504759108

Pubchem Sid Url

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

Sorrisi canonici

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

Isomeri SMILES

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

Peso molecolare

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
    • Classe Quinolines and derivatives
      • Subclass Haloquinolines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: 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
• Descrizione: 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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: Soluble in Methanol
• Sensibilità: Air Sensitive,Heat Sensitive
• Punto di infiammabilità (°C): 145 °C
• Punto di ebollizione (°C): 268°C(lit.)
• Punto di fusione (°C): 33 °C
• Peso molecolare: 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

Domande frequenti

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.