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5,5′-Dibromo-4,4′-ditetradecyl-2,2′-bithiophene - 98%, high purity , CAS No.753470-95-0
Basic Description
Synonyms
2-bromo-5-(5-bromo-4-dodecylthiophen-2-yl)-3-dodecylthiophene | AMY38190 | C76406 | 5,5'-dibromo-4,4'-dido-decyl-2,2'-bithiophene | 5,5'-dibromo-4,4'-didodecyl-2,2'-bithiophene | 5,5-dibromo-4,4-didodecyl-2,2-Bithiophene | FT-0756625 | A915208 | C32H52Br2
Specifications & Purity
≥98%
Product Description
Description
This monomer is used in the synthesis of semiconductive polymers for OPV and OFET devices
Taxonomic Classification
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.
Names and Identifiers
Pubchem Sid
504769087
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504769087
IUPAC Name
2-bromo-5-(5-bromo-4-dodecylthiophen-2-yl)-3-dodecylthiophene
INCHI
InChI=1S/C32H52Br2S2/c1-3-5-7-9-11-13-15-17-19-21-23-27-25-29(35-31(27)33)30-26-28(32(34)36-30)24-22-20-18-16-14-12-10-8-6-4-2/h25-26H,3-24H2,1-2H3
InChIKey
HTSYYLNTMSXYHZ-UHFFFAOYSA-N
Smiles
CCCCCCCCCCCCC1=C(SC(=C1)C2=CC(=C(S2)Br)CCCCCCCCCCCC)Br
Isomeric SMILES
CCCCCCCCCCCCC1=C(SC(=C1)C2=CC(=C(S2)Br)CCCCCCCCCCCC)Br
Molecular Weight
660.69
Reaxy-Rn
9974890
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9974890&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Melt Point(°C)
56-60 °C
Molecular Weight
660.700 g/mol
XLogP3
17.500
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
23
Exact Mass
660.186 Da
Monoisotopic Mass
658.188 Da
Topological Polar Surface Area
56.500 Ų
Heavy Atom Count
36
Formal Charge
0
Complexity
459.000
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
Citations of This Product
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1 Citations
H2321341