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5-Cyanobenzimidazole - 97%, high purity , CAS No.6287-83-8

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5-Cyanobenzimidazole - 97%, high purity , CAS No.6287-83-8

COA

Grade & Purity:

≥97%

Cas Number: 6287-83-8
Molecular Weight: 143.15
MDL number: MFCD06809988
PubChem CID: 223906
PubChem SID: 488188735

In stock

Item Number

C479269

Grouped product items
SKU	Size	Availability	Price
C479269-100mg	100mg	3	$10.90
C479269-250mg	250mg	5	$21.90
C479269-1g	1g	4	$70.90
C479269-5g	5g	2	$315.90

Basic Description

Synonyms	1H-Benzimidazole-5-nitrile \| 1H-benzo[d]imidazole-5-carbonitrile \| 5-Benzimidazolecarbonitrile \| 1H-Benzimidazole-6-carbonitrile \| 6-cyano-1H-benzimidazol \| F20008 \| 1H-1,3-Benzodiazole-5-carbonitrile \| MFCD06809988 \| 1H-Benzimidazole-5-carbonitrile \| 5-C
Specifications & Purity	≥97%

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Benzimidazoles

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Benzimidazoles
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Benzimidazoles
Alternative Parents	Benzenoids Imidazoles Heteroaromatic compounds Nitriles Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Benzimidazole - Benzenoid - Heteroaromatic compound - Imidazole - Azole - Azacycle - Nitrile - Carbonitrile - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as benzimidazoles. These are organic compounds containing a benzene ring fused to an imidazole ring (five member ring containing a nitrogen atom, 4 carbon atoms, and two double bonds).
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

Associated Targets(non-human)

Pseudomonas aeruginosa (123386 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

Pubchem Sid	488188735
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488188735
IUPAC Name	3H-benzimidazole-5-carbonitrile
INCHI	InChI=1S/C8H5N3/c9-4-6-1-2-7-8(3-6)11-5-10-7/h1-3,5H,(H,10,11)
InChIKey	NICYTXJGZRYCEQ-UHFFFAOYSA-N
Smiles	C1=CC2=C(C=C1C#N)NC=N2
Isomeric SMILES	C1=CC2=C(C=C1C#N)NC=N2
Molecular Weight	143.15
Reaxy-Rn	8761530
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8761530&ln=

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

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

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

8 results found

Lot Number	Certificate Type	Date	Item
E2312389	Certificate of Analysis	Mar 28, 2023	C479269
E2312379	Certificate of Analysis	Mar 28, 2023	C479269
E2312393	Certificate of Analysis	Mar 28, 2023	C479269
E2312384	Certificate of Analysis	Mar 28, 2023	C479269
E2312377	Certificate of Analysis	Mar 28, 2023	C479269
E2312382	Certificate of Analysis	Mar 28, 2023	C479269
E2312369	Certificate of Analysis	Mar 28, 2023	C479269
E2312383	Certificate of Analysis	Mar 28, 2023	C479269

Chemical and Physical Properties

Molecular Weight	143.150 g/mol
XLogP3	1.500
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	143.048 Da
Monoisotopic Mass	143.048 Da
Topological Polar Surface Area	52.500 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	193.000
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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