3-Ethynylquinoline - ≥98% , CAS No.78593-40-5

CAS: 78593-40-5 Cat. No.: E573472 Fórmula: C₁₁H₇N Peso molecular: 153.18 Número EC: 824-952-9

CALIDAD & PUREZA ≥98%

Synonyms

AB13977 | AS-57485 | EN300-304923 | ASBDHAOKWPWQMZ-UHFFFAOYSA-N | 3-ethynylquinoline | 3-ETHYNYL-QUINOLINE | STK625513 | F2147-2169 | DTXSID20365729 | Quinoline, 3-ethynyl- | AKOS005558891 | SCHEMBL444107 | D76283 | Z1080385470 | MFCD03286159

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Especificaciones

Sinónimos

AB13977 | AS-57485 | EN300-304923 | ASBDHAOKWPWQMZ-UHFFFAOYSA-N | 3-ethynylquinoline | 3-ETHYNYL-QUINOLINE | STK625513 | F2147-2169 | DTXSID20365729 | Quinoline, 3-ethynyl- | AKOS005558891 | SCHEMBL444107 | D76283 | Z1080385470 | MFCD03286159

Especificaciones y pureza

≥98%

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%

Nombres e identificadores

Pubchem Sid

504760660

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504760660

Sonrisas canónicas

C#CC1=CC2=CC=CC=C2N=C1

IUPAC Name

3-ethynylquinoline

InChIKey

ASBDHAOKWPWQMZ-UHFFFAOYSA-N

INCHI

1S/C11H7N/c1-2-9-7-10-5-3-4-6-11(10)12-8-9/h1,3-8H

Isómeros SMILES

C#CC1=CC2=CC=CC=C2N=C1

Peso molecular

153.18

Reaxy-Rn

1306362

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1306362&ln=

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: Pyridines and derivatives Benzenoids Heteroaromatic compounds Azacyclic compounds Acetylides Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Quinoline - Benzenoid - Pyridine - Heteroaromatic compound - Acetylide - Azacycle - Organic nitrogen compound - Organopnictogen compound - 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

Propiedades químicas y físicas

• Peso molecular: 153.180 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 153.058 Da
• Monoisotopic Mass: 153.058 Da
• Topological Polar Surface Area: 12.900 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 200.000
• 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 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 78593-40-5, the molecular formula is C11H7N, and the molecular weight is 153.18 g/mol. InChIKey ASBDHAOKWPWQMZ-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.