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5-Bromo-5′-hexyl-2,2′-bithiophene - 98%, high purity , CAS No.655249-04-0

COA

Grade & Purity:

≥98%

Cas Number: 655249-04-0
Molecular Weight: 329.32
PubChem CID: 59752457

In stock

Item Number

B433243

Grouped product items
SKU	Size	Availability	Price	Qty
B433243-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$175.90
B433243-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$652.90

Basic Description

Synonyms	ZB0799 \| SCHEMBL331160 \| 5-Bromo-5'-hexyl-2,2'-bithiophene, 98% \| 2-BROMO-5-(5-HEXYLTHIOPHEN-2-YL)THIOPHENE \| FT-0708525 \| SB66779 \| J-517118 \| 5-Bromo-5 inverted exclamation marka-hexyl-2,2 inverted exclamation marka-bithiophene \| QNMUCNVCVAUOQU-UHFFFAOY
Specifications & Purity	≥98%

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	2,5-disubstituted thiophenes Aryl bromides Heteroaromatic compounds Organobromides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Bithiophene - 2,5-disubstituted 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

IUPAC Name	2-bromo-5-(5-hexylthiophen-2-yl)thiophene
INCHI	InChI=1S/C14H17BrS2/c1-2-3-4-5-6-11-7-8-12(16-11)13-9-10-14(15)17-13/h7-10H,2-6H2,1H3
InChIKey	QNMUCNVCVAUOQU-UHFFFAOYSA-N
Smiles	CCCCCCC1=CC=C(S1)C2=CC=C(S2)Br
Isomeric SMILES	CCCCCCC1=CC=C(S1)C2=CC=C(S2)Br
WGK Germany	3
Molecular Weight	329.32
Reaxy-Rn	9705162
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9705162&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Flash Point(°F)	>230 °F
Flash Point(°C)	>110 °C
Molecular Weight	329.300 g/mol
XLogP3	6.800
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	6
Exact Mass	327.996 Da
Monoisotopic Mass	327.996 Da
Topological Polar Surface Area	56.500 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	222.000
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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