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

CAS: 78593-40-5 Cat. No.: E573472 Formule: C₁₁H₇N Poids moléculaire: 153.18 Numéro CE: 824-952-9

QUALITÉ & PURETÉ ≥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

Spécifications

Synonymes

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

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Store at 2-8°C,Argon charged

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥98%

Noms et identifiants

Pubchem Sid

504760660

Pubchem Sid Url

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

Sourires canoniques

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

Isomères SMILES

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

Poids moléculaire

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
    • Classe Quinolines and derivatives

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

Propriétés chimiques et physiques

• Poids moléculaire: 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

Foire aux questions

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.