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1-Ethyl-3-methylimidazolium Tricyanomethanide - 98%, high purity , CAS No.666823-18-3

COA

Grade & Purity:

≥98%

Cas Number: 666823-18-3
Molecular Weight: 201.23
PubChem CID: 87103581
PubChem SID: 504772516

In stock

Item Number

E304331

Grouped product items
SKU	Size	Availability	Price
E304331-250mg	250mg	3	$51.90
E304331-1g	1g	1	$137.90
E304331-5g	5g	1	$480.90

View related series

Imidazolium salt (90) Special synthesis (37)

Basic Description

Synonyms	3-Ethyl-1-methyl-1H-imidazol-3-ium Tricyanomethanide \| 1-ethyl-3-methylimidazoliumtricyanomethanide \| D90610 \| 1-ethyl-3-methylimidazolium tricyanomethanide \| 2,2-dicyanoethenylideneazanide;1-ethyl-3-methylimidazol-3-ium \| E1298 \| MFCD22460460 \| SCHEMBL41
Specifications & Purity	≥98%
Storage Temp	Room temperature,Argon charged,Desiccated
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Azoles
    - Subclass Imidazoles
      - Level5 Substituted imidazoles
        Level6 N-substituted imidazoles

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Azoles
Subclass	Imidazoles
Intermediate Tree Nodes	Substituted imidazoles
Direct Parent	N-substituted imidazoles
Alternative Parents	Heteroaromatic compounds Nitriles Azacyclic compounds Hydrocarbon derivatives Organic cations
Molecular Framework	Not available
Substituents	N-substituted imidazole - Heteroaromatic compound - Azacycle - Nitrile - Carbonitrile - Organic nitrogen compound - Cyanide - Hydrocarbon derivative - Organonitrogen compound - Organic cation - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as n-substituted imidazoles. These are heterocyclic compounds containing an imidazole ring substituted at position 1.
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	504772516
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504772516
IUPAC Name	2,2-dicyanoethenylideneazanide;1-ethyl-3-methylimidazol-3-ium
INCHI	InChI=1S/C6H11N2.C4N3/c1-3-8-5-4-7(2)6-8;5-1-4(2-6)3-7/h4-6H,3H2,1-2H3;/q+1;-1
InChIKey	SCAQVLGGENTPGK-UHFFFAOYSA-N
Smiles	CCN1C=C[N+](=C1)C.C(=C(C#N)C#N)=[N-]
Isomeric SMILES	CCN1C=C[N+](=C1)C.C(=C(C#N)C#N)=[N-]
Molecular Weight	201.23
Reaxy-Rn	10388586
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10388586&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.

4 results found

Lot Number	Certificate Type	Date	Item
B2511227	Certificate of Analysis	Jul 04, 2024	E304331
K2229375	Certificate of Analysis	Sep 28, 2022	E304331
K2229372	Certificate of Analysis	Sep 28, 2022	E304331
K2229386	Certificate of Analysis	Sep 28, 2022	E304331

Chemical and Physical Properties

Sensitivity	Hygroscopic
Refractive Index	1.51
Melt Point(°C)	-10°C(lit.)
Molecular Weight	201.230 g/mol
XLogP3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	201.101 Da
Monoisotopic Mass	201.101 Da
Topological Polar Surface Area	57.400 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	235.000
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	2

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