2,5-Dibromo-3-butiltiofeno - ≥96% , CAS No.116971-10-9

CAS: 116971-10-9 Cat. No.: D101027 Peso molecular: 298.04

GRADE & PURITY ≥96%

Synonyms

A803693 | DS-18406 | FT-0642856 | 2,5-Dibromo-3-butylthiophene, 96% | C8H10Br2S | MFCD00672012 | 3-butyl-2,5-dibromothiophene | SCHEMBL3466429 | Thiophene, 2,5-dibromo-3-butyl- | 2,5-bis(bromanyl)-3-butyl-thiophene | AKOS015898610 | 2,5-Dibromo-3-butylthi

Storage

Conservar a 2-8°C

Shipped In

Hielo húmedo

Descripción general

Precursor de polímero conductor.

Specifications

Sinónimos

A803693 | DS-18406 | FT-0642856 | 2, 5-Dibromo-3-butylthiophene, 96% | C8H10Br2S | MFCD00672012 | 3-butyl-2, 5-dibromothiophene | SCHEMBL3466429 | Thiophene, 2, 5-dibromo-3-butyl- | 2, 5-bis(bromanyl)-3-butyl-thiophene | AKOS015898610 | 2, 5-Dibromo-3-butylthi

Especificaciones y pureza

≥96%

Condiciones de almacenamiento de almacenamiento

Conservar a 2-8°C

Enviado en

Hielo húmedo

Pureza

≥96%

Nombres e identificadores

• Sonrisas canónicas: CCCCC1=C(SC(=C1)Br)Br
• IUPAC Name: 2,5-dibromo-3-butylthiophene
• InChIKey: YRSQCQUZWSQKKU-UHFFFAOYSA-N
• INCHI: 1S/C8H10Br2S/c1-2-3-4-6-5-7(9)11-8(6)10/h5H,2-4H2,1H3
• Isómeros SMILES: CCCCC1=C(SC(=C1)Br)Br
• WGK Alemania: 3
• Peso molecular: 298.04
• Reaxy-Rn: 7198778
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7198778&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Thiophenes
      • Subclass 2,3,5-trisubstituted thiophenes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Thiophenes
• Subclass: 2,3,5-trisubstituted thiophenes
• Intermediate Tree Nodes: Not available
• Direct Parent: 2,3,5-trisubstituted thiophenes
• Alternative Parents: Aryl bromides Heteroaromatic compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2,3,5-trisubstituted 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 2,3,5-trisubstituted thiophenes. These are organic compounds containing a thiophene that is trisubstituted at the C-2, C3- 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

• Índice de refracción: 1.574
• Punto de inflamación (°F): 110 °C
• Punto de inflamación (°C): 110°C
• Punto de ebullición (°C): 270-281°C
• Peso molecular: 298.040 g/mol
• XLogP3: 5.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 297.885 Da
• Monoisotopic Mass: 295.887 Da
• Topological Polar Surface Area: 28.200 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 119.000
• 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