3-(bromomethyl)-5-chlorobenzo[b]thiophene - ≥98% , CAS No.1198-51-2

CAS: 1198-51-2 Cat. No.: B101857 Peso molecular: 261.56 Número EC: 638-916-3

GRADE & PURITY ≥98%

Synonyms

3-(bromomethyl)-5-chloro benzo[b]thiophene | SCHEMBL246112 | 3-bromomethyl-5-chlorobenzothiophene | 5-chloro-3-bromomethylbenzothiophene | AMY739 | Benzo[b]thiophene, 3-(bromomethyl)-5-chloro- | AC-4585 | DTXSID90381577 | FT-0613723 | (5-chlorobenzo[b]-th

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

3-(bromomethyl)-5-chloro benzo[b]thiophene | SCHEMBL246112 | 3-bromomethyl-5-chlorobenzothiophene | 5-chloro-3-bromomethylbenzothiophene | AMY739 | Benzo[b]thiophene, 3-(bromomethyl)-5-chloro- | AC-4585 | DTXSID90381577 | FT-0613723 | (5-chlorobenzo[b]-th

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: 504762052
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504762052
• Sonrisas canónicas: C1=CC2=C(C=C1Cl)C(=CS2)CBr
• IUPAC Name: 3-(bromomethyl)-5-chloro-1-benzothiophene
• InChIKey: FKQSFVITUNJLCY-UHFFFAOYSA-N
• INCHI: 1S/C9H6BrClS/c10-4-6-5-12-9-2-1-7(11)3-8(6)9/h1-3,5H,4H2
• Isómeros SMILES: C1=CC2=C(C=C1Cl)C(=CS2)CBr
• Número ONU: 3261
• Peso molecular: 261.56
• Reaxy-Rn: 1283345
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1283345&ln=

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 Organobromides Hydrocarbon derivatives Alkyl bromides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 1-benzothiophene - Benzenoid - Aryl halide - Aryl chloride - Heteroaromatic compound - Thiophene - Hydrocarbon derivative - Organochloride - Organobromide - Organohalogen compound - Alkyl halide - Alkyl bromide - 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

• Sensibilidad: air sensitive，heat sensitive
• Punto de fusión (°C): 129-130°C
• Peso molecular: 261.570 g/mol
• XLogP3: 4.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 259.906 Da
• Monoisotopic Mass: 259.906 Da
• Topological Polar Surface Area: 28.200 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 165.000
• 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