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5'-Bromo-[2,2'-bithiophene]-5-carbonitrile - 98%, high purity , CAS No.176787-96-5

COA

Grade & Purity:

≥98%

Cas Number: 176787-96-5
Molecular Weight: 270.16
PubChem CID: 15458991
PubChem SID: 488198896

In stock

Item Number

B405264

Grouped product items
SKU	Size	Availability	Price
B405264-200mg	200mg	3	$121.90
B405264-250mg	250mg	2	$219.90
B405264-1g	1g	2	$609.90

View related series

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

Basic Description

Synonyms	5 inverted exclamation marka-Bromo[2,2 inverted exclamation marka-bithiophene]-5-carbonitrile \| MFCD16339405 \| T70438 \| B5457 \| BHA78796 \| 5'-bromo-[2,2'-bithiophene]-5-carbonitrile \| 5-(5-bromothiophen-2-yl)thiophene-2-carbonitrile
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 Nitriles Organobromides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Bithiophene - 2,5-disubstituted thiophene - Aryl halide - Aryl bromide - Heteroaromatic compound - Thiophene - Nitrile - Carbonitrile - Organic nitrogen compound - Cyanide - Hydrocarbon derivative - Organonitrogen compound - 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	488198896
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488198896
IUPAC Name	5-(5-bromothiophen-2-yl)thiophene-2-carbonitrile
INCHI	InChI=1S/C9H4BrNS2/c10-9-4-3-8(13-9)7-2-1-6(5-11)12-7/h1-4H
InChIKey	OHVCHDZJRUEOKH-UHFFFAOYSA-N
Smiles	C1=C(SC(=C1)C2=CC=C(S2)Br)C#N
Isomeric SMILES	C1=C(SC(=C1)C2=CC=C(S2)Br)C#N
Molecular Weight	270.16
Reaxy-Rn	7583250
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7583250&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
E2318354	Certificate of Analysis	Apr 07, 2023	B405264
E2318375	Certificate of Analysis	Apr 07, 2023	B405264
E2318358	Certificate of Analysis	Apr 07, 2023	B405264
E2318388	Certificate of Analysis	Apr 07, 2023	B405264
E2318351	Certificate of Analysis	Apr 07, 2023	B405264
E2318382	Certificate of Analysis	Apr 07, 2023	B405264

Chemical and Physical Properties

Melt Point(°C)	163 °C
Molecular Weight	270.200 g/mol
XLogP3	4.100
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	268.897 Da
Monoisotopic Mass	268.897 Da
Topological Polar Surface Area	80.300 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	237.000
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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