5''-Bromo-2,2':5',2''-terthiophene-5-carboxaldehyde - ≥94% , CAS No.161726-69-8

CAS: 161726-69-8 Cat. No.: B131911 Peso molecular: 355.28

GRADE & PURITY ≥94%

Synonyms

5-Bromo-5''-formyl-2,2':5',2''-terthiophene

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

5-Bromo-5''-formyl-2, 2':5', 2''-terthiophene

Especificaciones y pureza

≥94%

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

≥94%

Nombres e identificadores

• Pubchem Sid: 488198767
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488198767
• Sonrisas canónicas: C1=C(SC(=C1)C2=CC=C(S2)C3=CC=C(S3)Br)C=O
• IUPAC Name: 5-[5-(5-bromothiophen-2-yl)thiophen-2-yl]thiophene-2-carbaldehyde
• InChIKey: DSYKMLTVEGWLFR-UHFFFAOYSA-N
• INCHI: 1S/C13H7BrOS3/c14-13-6-5-12(18-13)11-4-3-10(17-11)9-2-1-8(7-15)16-9/h1-7H
• Isómeros SMILES: C1=C(SC(=C1)C2=CC=C(S2)C3=CC=C(S3)Br)C=O
• Peso molecular: 355.28
• Reaxy-Rn: 7168475
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7168475&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Bi- and oligothiophenes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Bi- and oligothiophenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Bi- and oligothiophenes
• Alternative Parents: Aryl-aldehydes 2,5-disubstituted thiophenes Aryl bromides Heteroaromatic compounds Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Bithiophene - 2,5-disubstituted thiophene - Aryl-aldehyde - Aryl halide - Aryl bromide - Heteroaromatic compound - Thiophene - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organobromide - Organohalogen compound - Aldehyde - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as bi- and oligothiophenes. These are organic compounds containing two or more linked thiophene rings. Thiophene is a five-member aromatic ring with one sulfur and four carbon atoms.
• 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
• Punto de fusión (°C): 164 °C
• Peso molecular: 355.300 g/mol
• XLogP3: 5.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 353.884 Da
• Monoisotopic Mass: 353.884 Da
• Topological Polar Surface Area: 102.000 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 315.000
• 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