2-Chloro-5-ethynylthiophene - ≥98% , CAS No.139957-82-7

CAS: 139957-82-7 Cat. No.: C190832 Summenformel: C₆H₃ClS Molekulargewicht: 142.61 EG-Nummer: 843-340-2

GRADE & PURITY ≥98%

Synonyms

SCHEMBL14072752 | FT-0720148 | DS-16281 | 2-Chloro-5-ethynylthiophene | 2-CHLORO-5-ETHYNYL-THIOPHENE | A885928 | AKOS006238089 | Thiophene, 2-chloro-5-ethynyl- | MFCD08703571 | DTXSID90575439 | EN300-199651 | F2147-2795

Storage

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

Shipped In

Wet ice

Specifications

Synonyme

SCHEMBL14072752 | FT-0720148 | DS-16281 | 2-Chloro-5-ethynylthiophene | 2-CHLORO-5-ETHYNYL-THIOPHENE | A885928 | AKOS006238089 | Thiophene, 2-chloro-5-ethynyl- | MFCD08703571 | DTXSID90575439 | EN300-199651 | F2147-2795

Spezifikationen & Reinheit

≥98%

Storage

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

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥98%

Namen und Kennungen

• Kanonisches Lächeln: C#CC1=CC=C(S1)Cl
• IUPAC Name: 2-chloro-5-ethynylthiophene
• InChIKey: SDVHVQQEXLEHGZ-UHFFFAOYSA-N
• INCHI: 1S/C6H3ClS/c1-2-5-3-4-6(7)8-5/h1,3-4H
• Isomere SMILES: C#CC1=CC=C(S1)Cl
• Molekulargewicht: 142.61
• Reaxy-Rn: 109610
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=109610&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Thiophenes
      • Subclass 2,5-disubstituted thiophenes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Thiophenes
• Subclass: 2,5-disubstituted thiophenes
• Intermediate Tree Nodes: Not available
• Direct Parent: 2,5-disubstituted thiophenes
• Alternative Parents: Aryl chlorides Heteroaromatic compounds Acetylides Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2,5-disubstituted thiophene - Aryl halide - Aryl chloride - Heteroaromatic compound - Acetylide - Hydrocarbon derivative - Organochloride - Organohalogen compound - Aromatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as 2,5-disubstituted thiophenes. These are organic compounds containing a thiophene that is disubstituted at the C-2, and C5-positions.
• 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 142.610 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 141.964 Da
• Monoisotopic Mass: 141.964 Da
• Topological Polar Surface Area: 28.200 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 124.000
• 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