3'-Bromo-2,2':5',2''-terthiophene - ≥97% , CAS No.105125-00-6

CAS: 105125-00-6 Cat. No.: B152937 Molecular Weight: 327.27

GRADE & PURITY ≥97%

Synonyms

3'-BroMo-2,2' | 3-bromo-2,5-bis(2-thienyl)thiophene | AKOS024462345 | 2,2':5',2''-Terthiophene, 3'-bromo- | A896072 | B4050 | 2,2':5',2''-Terthiophene,3'-bromo- | 2~3~-Bromo-1~2~,2~2~:2~5~,3~2~-terthiophene | AS-56482 | SCHEMBL1629985 | MFCD27976807 | 3-B

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

3'-BroMo-2, 2' | 3-bromo-2, 5-bis(2-thienyl)thiophene | AKOS024462345 | 2, 2':5', 2''-Terthiophene, 3'-bromo- | A896072 | B4050 | 2, 2':5', 2''-Terthiophene, 3'-bromo- | 2~3~-Bromo-1~2~, 2~2~:2~5~, 3~2~-terthiophene | AS-56482 | SCHEMBL1629985 | MFCD27976807 | 3-B

Specifications & Purity

≥97%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 504757725
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504757725
• Canonical Smiles: C1=CSC(=C1)C2=CC(=C(S2)C3=CC=CS3)Br
• IUPAC Name: 3-bromo-2,5-dithiophen-2-ylthiophene
• InChIKey: FGBHDLKMGUOJBA-UHFFFAOYSA-N
• INCHI: 1S/C12H7BrS3/c13-8-7-11(9-3-1-5-14-9)16-12(8)10-4-2-6-15-10/h1-7H
• Isomeric SMILES: C1=CSC(=C1)C2=CC(=C(S2)C3=CC=CS3)Br
• Molecular Weight: 327.27
• Reaxy-Rn: 7176008
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7176008&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Bi- and oligothiophenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Bi- and oligothiophenes
• Alternative Parents: 2,3,5-trisubstituted thiophenes Aryl bromides Heteroaromatic compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Bithiophene - 2,3,5-trisubstituted thiophene - Aryl halide - Aryl bromide - Heteroaromatic compound - Thiophene - Hydrocarbon derivative - Organobromide - Organohalogen compound - Aromatic heteromonocyclic compound
• Description: 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

Chemical and Physical Properties

• Sensitivity: Light Sensitive,Air Sensitive
• Melt Point(°C): 40 °C
• Molecular Weight: 327.300 g/mol
• XLogP3: 5.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 325.889 Da
• Monoisotopic Mass: 325.889 Da
• Topological Polar Surface Area: 84.700 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 248.000
• 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