6-Chloroquinoline - ≥98%(GC) , CAS No.612-57-7

CAS: 612-57-7 Cat. No.: C136969 Fórmula: C₉H₆ClN Peso molecular: 163.6 Beilstein Registry Number: 20(3/4)3379 Número EC: 210-314-1

GRADE & PURITY ≥98%(GC)

Synonyms

BCP20124 | CHLOROQUINOLINE, 6- | DTXSID3060611 | K4A4BAU5SE | 6-Chloroquinoline, 99% | NSC 4682 | FT-0602532 | UNII-K4A4BAU5SE | J-518663 | A833128 | EINECS 210-314-1 | MFCD00024024 | SB67451 | InChI=1/C9H6ClN/c10-8-3-4-9-7(6-8)2-1-5-11-9/h1-6 | STK802545

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Descripción general

Catalyst for high yield preparation of ethoxycarbonyl isothiocyanate.

Specifications

Sinónimos

BCP20124 | CHLOROQUINOLINE, 6- | DTXSID3060611 | K4A4BAU5SE | 6-Chloroquinoline, 99% | NSC 4682 | FT-0602532 | UNII-K4A4BAU5SE | J-518663 | A833128 | EINECS 210-314-1 | MFCD00024024 | SB67451 | InChI=1/C9H6ClN/c10-8-3-4-9-7(6-8)2-1-5-11-9/h1-6 | STK802545

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: 504754345
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504754345
• Sonrisas canónicas: C1=CC2=C(C=CC(=C2)Cl)N=C1
• IUPAC Name: 6-chloroquinoline
• InChIKey: GKJSZXGYFJBYRQ-UHFFFAOYSA-N
• INCHI: 1S/C9H6ClN/c10-8-3-4-9-7(6-8)2-1-5-11-9/h1-6H
• Isómeros SMILES: C1=CC2=C(C=CC(=C2)Cl)N=C1
• WGK Alemania: 3
• Peso molecular: 163.6
• Beilstein: 20(3/4)3379
• Reaxy-Rn: 112963
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=112963&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

Propiedades químicas y físicas

• Solubilidad: Insoluble in water.
• Sensibilidad: Heat & Air sensitive
• Punto de inflamación (°F): 235.4 °F
• Punto de inflamación (°C): 113 °C
• Punto de ebullición (°C): 264 °C
• Punto de fusión (°C): 41 °C
• Peso molecular: 163.600 g/mol
• XLogP3: 2.700
• 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

Referencias

1. Qiang Zhou, Zijiang Zhao, Zihao Yao, Zhongzhe Wei, Songtao Huang, Fangjun Shao, Aiyuan Li, Jianguo Wang.  (2021)  Engineering the geometric and electronic structure of Ru via Ru–TiO2 interaction for enhanced selective hydrogenation.  Catalysis Science & Technology,  12  (3): (1005-1016).  [PMID:] [10.1039/D1CY01678D]

2. Xiuru Xue, Min Zeng, Yanhua Wang.  (2018)  Highly active and recyclable Pt nanocatalyst for hydrogenation of quinolines and isoquinolines.  APPLIED CATALYSIS A-GENERAL,      [PMID:] [10.1016/j.apcata.2018.04.039]

3. Xingyue Yang, Lei Wang, Shijie Zhou, Shilong Zhang, Yongfang Xu, Yujie Bian, Zhaowei Tian, Yusen Yang, Min Wei.  (2025)  Designing Cu0−Cu+ dual sites for reversible dehydrogenation and hydrogenation of N-heterocycles.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2025.166251]

Preguntas frecuentes

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 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.

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

The CAS Number is 612-57-7, the molecular formula is C9H6ClN, and the molecular weight is 163.6 g/mol. InChIKey GKJSZXGYFJBYRQ-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.