4-Chlorobenzo[b]thiophene - ≥97% , CAS No.66490-33-3

CAS: 66490-33-3 Cat. No.: C670106 Peso molecular: 168.64 Número EC: 964-933-3 PubChem CID: 12398605

GRADE & PURITY ≥97%

Synonyms

4-chlorobenzo[b]thiophene | 4-CHLORO-1-BENZOTHIOPHENE | 4-chlorobenzothiophene | 4-chloro-benzo[b]thiophene | MFCD18451627 | Benzo[b]thiophene, 4-chloro- | 4-chloro- Benzo[b]thiophene | chlorobenzo[b]thiophene | 4-chlorobenzo[b]-thiophene | SCHEMBL827532

Storage

Protected from light,Room temperature,Argon charged,Desiccated

Shipped In

Normal

Specifications

Sinónimos

4-chlorobenzo[b]thiophene | 4-CHLORO-1-BENZOTHIOPHENE | 4-chlorobenzothiophene | 4-chloro-benzo[b]thiophene | MFCD18451627 | Benzo[b]thiophene, 4-chloro- | 4-chloro- Benzo[b]thiophene | chlorobenzo[b]thiophene | 4-chlorobenzo[b]-thiophene | SCHEMBL827532

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Protected from light, Room temperature, Argon charged, Desiccated

Enviado en

Normal

Pureza

≥97%

Propiedades del producto

• ALogP: 3.6

Nombres e identificadores

• Sonrisas canónicas: C1=CC2=C(C=CS2)C(=C1)Cl
• IUPAC Name: 4-chloro-1-benzothiophene
• InChIKey: YGYUMNQONHLLNC-UHFFFAOYSA-N
• INCHI: 1S/C8H5ClS/c9-7-2-1-3-8-6(7)4-5-10-8/h1-5H
• Isómeros SMILES: C1=CC2=C(C=CS2)C(=C1)Cl
• PubChem CID: 12398605
• Peso molecular: 168.64

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Benzothiophenes
      • Subclass 1-benzothiophenes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Benzothiophenes
• Subclass: 1-benzothiophenes
• Intermediate Tree Nodes: Not available
• Direct Parent: 1-benzothiophenes
• Alternative Parents: Benzenoids Aryl chlorides Thiophenes Heteroaromatic compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 1-benzothiophene - Benzenoid - Aryl halide - Aryl chloride - Heteroaromatic compound - Thiophene - Hydrocarbon derivative - Organochloride - Organohalogen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as 1-benzothiophenes. These are aromatic heterocyclic compound containing the Benzo[b]thiophene ring system.
• 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: 168.640 g/mol
• XLogP3: 3.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 167.98 Da
• Monoisotopic Mass: 167.98 Da
• Topological Polar Surface Area: 28.200 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 126.000
• 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