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5,5'-Dibromo-3,3'-dihexyl-2,2'-bithiophene - 97%, high purity , CAS No.170702-05-3

COA

Grade & Purity:

≥97%

Cas Number: 170702-05-3
Molecular Weight: 492.37
PubChem CID: 15185062
PubChem SID: 488198831

In stock

Item Number

D155659

Grouped product items
SKU	Size	Availability	Price
D155659-250mg	250mg	4	$49.90
D155659-1g	1g	4	$151.90
D155659-5g	5g	3	$589.90

View related series

Five-Membered Heterocyclic Compounds (2064) Oligothiophenes (34)

Basic Description

Synonyms	D4183 \| 5,5/'-Dibromo-3,3/'-dihexyl-2,2/'-bithiophene \| T70411 \| MFCD23380207 \| DTXSID10569779 \| 5-bromo-2-(5-bromo-3-hexylthiophen-2-yl)-3-hexylthiophene \| SCHEMBL2308334 \| BS-44755 \| 5,5'-Dibromo-3,3'-dihexyl-2,2'-bithiophene
Specifications & Purity	≥97%
Storage Temp	Store at 2-8°C,Argon charged
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

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
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

Names and Identifiers

Pubchem Sid	488198831
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488198831
IUPAC Name	5-bromo-2-(5-bromo-3-hexylthiophen-2-yl)-3-hexylthiophene
INCHI	InChI=1S/C20H28Br2S2/c1-3-5-7-9-11-15-13-17(21)23-19(15)20-16(14-18(22)24-20)12-10-8-6-4-2/h13-14H,3-12H2,1-2H3
InChIKey	MMSTXAGVEKUBED-UHFFFAOYSA-N
Smiles	CCCCCCC1=C(SC(=C1)Br)C2=C(C=C(S2)Br)CCCCCC
Isomeric SMILES	CCCCCCC1=C(SC(=C1)Br)C2=C(C=C(S2)Br)CCCCCC
Molecular Weight	492.37
Reaxy-Rn	7383691
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7383691&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

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6 results found

Lot Number	Certificate Type	Date	Item
C23151386	Certificate of Analysis	Feb 15, 2023	D155659
C23151393	Certificate of Analysis	Feb 15, 2023	D155659
C23151394	Certificate of Analysis	Feb 15, 2023	D155659
C23151390	Certificate of Analysis	Feb 15, 2023	D155659
C23151395	Certificate of Analysis	Feb 15, 2023	D155659
C23151387	Certificate of Analysis	Feb 15, 2023	D155659

Chemical and Physical Properties

Sensitivity	Light Sensitive,Air Sensitive,Heat Sensitive
Refractive Index	1.58
Flash Point(°C)	253 °C
Molecular Weight	492.400 g/mol
XLogP3	11.000
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	11
Exact Mass	491.998 Da
Monoisotopic Mass	490 Da
Topological Polar Surface Area	56.500 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	308.000
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

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