2,5-Dibromothiophene - ≥96% , CAS No.3141-27-3

CAS: 3141-27-3 Cat. No.: D100660 Fórmula: C₄H₂Br₂S Peso molecular: 241.93 Beilstein Registry Number: 17(5)1,308 Número EC: 221-547-3

GRADE & PURITY ≥96%

Synonyms

SCHEMBL147222 | A820842 | MFCD00005420 | EN300-19548 | AKOS000119947 | AM20090448 | NSC-4488 | 2,5-Dibromothiophene, Vetec(TM) reagent grade, 94% | DTXSID3062863 | D71235 | 2,5-DIBROMOTHIOPHENE | 2,5-dibromo-thiophene | AI3-08106 | Thiophene, 2,5-dibromo-

Storage

Room temperature,Argon charged

Shipped In

Normal

Descripción general

2,5-Dibromothiophene polymerizes by debromination with magnesium catalyzed by nickel compounds to form poly(2,5- thienylene).

Specifications

Sinónimos

SCHEMBL147222 | A820842 | MFCD00005420 | EN300-19548 | AKOS000119947 | AM20090448 | NSC-4488 | 2,5-Dibromothiophene, Vetec(TM) reagent grade, 94% | DTXSID3062863 | D71235 | 2,5-DIBROMOTHIOPHENE | 2,5-dibromo-thiophene | AI3-08106 | Thiophene, 2,5-dibromo-

Especificaciones y pureza

≥96%

Condiciones de almacenamiento de almacenamiento

Room temperature,Argon charged

Enviado en

Normal

Pureza

≥96%

Nombres e identificadores

Pubchem Sid

488182474

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488182474

Sonrisas canónicas

C1=C(SC(=C1)Br)Br

IUPAC Name

2,5-dibromothiophene

InChIKey

KBVDUUXRXJTAJC-UHFFFAOYSA-N

INCHI

1S/C4H2Br2S/c5-3-1-2-4(6)7-3/h1-2H

Isómeros SMILES

C1=C(SC(=C1)Br)Br

WGK Alemania

3

Peso molecular

241.93

Beilstein

17(5)1,308

Reaxy-Rn

109899

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=109899&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Thiophenes
• Subclass: 2,5-disubstituted thiophenes
• Intermediate Tree Nodes: Not available
• Direct Parent: 2,5-disubstituted thiophenes
• Alternative Parents: Aryl bromides Heteroaromatic compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2,5-disubstituted thiophene - Aryl halide - Aryl bromide - Heteroaromatic compound - Hydrocarbon derivative - Organobromide - Organohalogen compound - Aromatic heteromonocyclic compound
• Descripción: 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

Propiedades químicas y físicas

• Solubilidad: It is soluble in chloroform and methanol. It is insoluble in water.
• Sensibilidad: Air & Light Sensitive
• Índice de refracción: 1.627-1.63
• Punto de inflamación (°F): 210.2 °F
• Punto de inflamación (°C): 99°C
• Punto de ebullición (°C): 211°C
• Punto de fusión (°C): -6°C
• Peso molecular: 241.930 g/mol
• XLogP3: 3.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 241.822 Da
• Monoisotopic Mass: 239.824 Da
• Topological Polar Surface Area: 28.200 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 58.700
• 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?

This product is supplied at ≥96% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

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 3141-27-3, the molecular formula is C4H2Br2S, and the molecular weight is 241.93 g/mol. InChIKey KBVDUUXRXJTAJC-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.