2-(4-Bromophenyl)thiophene - ≥97%(GC) , CAS No.40133-22-0

CAS: 40133-22-0 Cat. No.: B153047 Fórmula: C₁₀H₇BrS Peso molecular: 239.13

GRADE & PURITY ≥97%(GC)

Synonyms

J-505923 | SCHEMBL1310724 | 2-(4-Bromophenyl)thiophene | 2-(4-bromo-phenyl)-thiophene | FT-0639612 | Thiophene, 2-(4-bromophenyl)- | 2-(4-Bromophenyl)thiophene, 97% | A824926 | B5106 | 2-(p-bromophenyl)thiophene | AS-5358 | DTXSID20426985 | AKOS005067258

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

J-505923 | SCHEMBL1310724 | 2-(4-Bromophenyl)thiophene | 2-(4-bromo-phenyl)-thiophene | FT-0639612 | Thiophene, 2-(4-bromophenyl)- | 2-(4-Bromophenyl)thiophene, 97% | A824926 | B5106 | 2-(p-bromophenyl)thiophene | AS-5358 | DTXSID20426985 | AKOS005067258

Especificaciones y pureza

≥97%(GC)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%(GC)

Nombres e identificadores

Pubchem Sid

488196079

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488196079

Sonrisas canónicas

C1=CSC(=C1)C2=CC=C(C=C2)Br

IUPAC Name

2-(4-bromophenyl)thiophene

InChIKey

XKOJJKOSNQXQGP-UHFFFAOYSA-N

INCHI

1S/C10H7BrS/c11-9-5-3-8(4-6-9)10-2-1-7-12-10/h1-7H

Isómeros SMILES

C1=CSC(=C1)C2=CC=C(C=C2)Br

WGK Alemania

3

Peso molecular

239.13

Reaxy-Rn

119245

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=119245&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Halobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Bromobenzenes
• Alternative Parents: Aryl bromides Thiophenes Heteroaromatic compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Bromobenzene - Aryl halide - Aryl bromide - Heteroaromatic compound - Thiophene - Organoheterocyclic compound - Hydrocarbon derivative - Organobromide - Organohalogen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as bromobenzenes. These are organic compounds containing a bromine atom attached to a benzene ring.
• 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

• Punto de fusión (°C): 95-100°C
• Peso molecular: 239.130 g/mol
• XLogP3: 4.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 237.945 Da
• Monoisotopic Mass: 237.945 Da
• Topological Polar Surface Area: 28.200 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 141.000
• 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

Preguntas frecuentes

What is the purity of this product, and how is it determined?

This product is supplied at ≥97% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 40133-22-0, the molecular formula is C10H7BrS, and the molecular weight is 239.13 g/mol. InChIKey XKOJJKOSNQXQGP-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.