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2-(1-Methyl-1H-benzo[d]imidazol-2-yl)acetonitrile - 98%, high purity , CAS No.2735-62-8

COA

Grade & Purity:

≥98%

Cas Number: 2735-62-8
Molecular Weight: 171.2
PubChem CID: 75953

In stock

Item Number

M192468

Grouped product items
SKU	Size	Availability	Price	Qty
M192468-50mg	50mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$206.90
M192468-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$615.90

Basic Description

Synonyms	2735-62-8 \| 2-(1-methyl-1H-benzo[d]imidazol-2-yl)acetonitrile \| (1-Methyl-1H-benzoimidazol-2-yl)acetonitrile \| 2-(1-methylbenzimidazol-2-yl)acetonitrile \| 1H-Benzimidazole-2-acetonitrile, 1-methyl- \| 1-Methyl-2-benzimidazoleacetonitrile \| 2-(1-methyl-1H-1,3-benzodiaz
Specifications & Purity	≥98%
Shipped In	Normal

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	N-substituted imidazoles Benzenoids Heteroaromatic compounds Nitriles Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Benzimidazole - Benzenoid - N-substituted imidazole - 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

Names and Identifiers

IUPAC Name	2-(1-methylbenzimidazol-2-yl)acetonitrile
INCHI	InChI=1S/C10H9N3/c1-13-9-5-3-2-4-8(9)12-10(13)6-7-11/h2-5H,6H2,1H3
InChIKey	DYWFJPNNNWXOAK-UHFFFAOYSA-N
Smiles	CN1C2=CC=CC=C2N=C1CC#N
Isomeric SMILES	CN1C2=CC=CC=C2N=C1CC#N
Molecular Weight	171.2
Reaxy-Rn	610149
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=610149&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	171.200 g/mol
XLogP3	1.100
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	171.08 Da
Monoisotopic Mass	171.08 Da
Topological Polar Surface Area	41.600 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	230.000
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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