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2-Bromo-1-methyl-1H-imidazole-4,5-dicarbonitrile - 98%, high purity , CAS No.115905-43-6

COA

Grade & Purity:

≥98%

Cas Number: 115905-43-6
Molecular Weight: 211.02
PubChem CID: 2779149

In stock

Item Number

B189838

Grouped product items
SKU	Size	Availability	Price	Qty
B189838-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$60.90
B189838-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$201.90

Discover 2-Bromo-1-methyl-1H-imidazole-4,5-dicarbonitrile by Aladdin Scientific in 98% for only $60.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	2-Bromo-1-methyl-1H-imidazole-4,5-dicarbonitrile \| 115905-43-6 \| 2-bromo-1-methylimidazole-4,5-dicarbonitrile \| 2-Bromo-4,5-dicyano-1-methylimidazole \| 2-bromo-4,5-dicyano-1-methyl-1H-imidazole \| 1H-Imidazole-4,5-dicarbonitrile,2-bromo-1-methyl- \| DTXSID30381293 \| AMY2
Specifications & Purity	≥98%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Azoles
    - Subclass Imidazoles
      - Level5 Substituted imidazoles
        Level6 Tetrasubstituted imidazoles
        Level7 1,2,4,5-tetrasubstituted imidazoles

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Azoles
Subclass	Imidazoles
Intermediate Tree Nodes	Substituted imidazoles - Tetrasubstituted imidazoles
Direct Parent	1,2,4,5-tetrasubstituted imidazoles
Alternative Parents	N-substituted imidazoles Aryl bromides Heteroaromatic compounds Nitriles Azacyclic compounds Organopnictogen compounds Organobromides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	1,2,4,5-tetrasubstituted imidazole - N-substituted imidazole - Aryl halide - Aryl bromide - Heteroaromatic compound - Azacycle - Nitrile - Carbonitrile - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Organobromide - Organohalogen compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as 1,2,4,5-tetrasubstituted imidazoles. These are imidazoles in which the imidazole ring is substituted at for positions 1,2,4, and 5.
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-1-methylimidazole-4,5-dicarbonitrile
INCHI	InChI=1S/C6H3BrN4/c1-11-5(3-9)4(2-8)10-6(11)7/h1H3
InChIKey	ROALCCYWMDMWON-UHFFFAOYSA-N
Smiles	CN1C(=C(N=C1Br)C#N)C#N
Isomeric SMILES	CN1C(=C(N=C1Br)C#N)C#N
Molecular Weight	211.02
Reaxy-Rn	4744475
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4744475&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	211.020 g/mol
XLogP3	1.100
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	209.954 Da
Monoisotopic Mass	209.954 Da
Topological Polar Surface Area	65.400 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	246.000
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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