2-Ethynylthiophene - ≥97% , CAS No.4298-52-6

CAS: 4298-52-6 Cat. No.: E107746 Formule: C₆H₄S Poids moléculaire: 108.16 Numéro CE: 801-598-3

QUALITÉ & PURETÉ ≥97%

Synonyms

PS-9283 | 2-Ethynylthiophene | 2-ethynyl-thiophene | 2-thiophenylacetylene | FT-0645320 | J-509349 | E0915 | LWISLHRIEATKTM-UHFFFAOYSA-N | DTXSID40412961 | 2-ethynylthiophene, 90% | CHEBI:167071 | 2-Acetylenylthiophene | (thiophen-2-yl)acetylene | 2-thien

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Spécifications

Synonymes

PS-9283 | 2-Ethynylthiophene | 2-ethynyl-thiophene | 2-thiophenylacetylene | FT-0645320 | J-509349 | E0915 | LWISLHRIEATKTM-UHFFFAOYSA-N | DTXSID40412961 | 2-ethynylthiophene, 90% | CHEBI:167071 | 2-Acetylenylthiophene | (thiophen-2-yl)acetylene | 2-thien

Spécifications et pureté

≥97%

Conditions de stockage de stockage

Store at 2-8°C,Protected from light,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

≥97%

Noms et identifiants

Pubchem Sid

504763278

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504763278

Sourires canoniques

C#CC1=CC=CS1

IUPAC Name

2-ethynylthiophene

InChIKey

LWISLHRIEATKTM-UHFFFAOYSA-N

INCHI

1S/C6H4S/c1-2-6-4-3-5-7-6/h1,3-5H

Isomères SMILES

C#CC1=CC=CS1

WGK Allemagne

3

Poids moléculaire

108.16

Reaxy-Rn

105773

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=105773&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Heteroaromatic compounds

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Heteroaromatic compounds
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Heteroaromatic compounds
• Alternative Parents: Thiophenes Acetylides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Heteroaromatic compound - Thiophene - Acetylide - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as heteroaromatic compounds. These are compounds containing an aromatic ring where a carbon atom is linked to an hetero atom.
• 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

• Sensibilité: Light Sensitive,Air Sensitive,Heat Sensitive
• Indice de réfraction: 1.58
• Point d'éclair (°F): 107.6 °F
• Point d'éclair (°C): 42 °C
• Point d'ébullition (°C): 46°C/15mmHg
• Poids moléculaire: 108.160 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 108.003 Da
• Monoisotopic Mass: 108.003 Da
• Topological Polar Surface Area: 28.200 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 98.000
• 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