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5-[(Trimethylsilyl)ethynyl])-1-methylimidazole - 98%, high purity , CAS No.480439-45-0

2 Citations

COA

Grade & Purity:

≥98%

Cas Number: 480439-45-0
Molecular Weight: 178.31
MDL number: MFCD04039965
PubChem CID: 4431629

In stock

Item Number

T472472

Grouped product items
SKU	Size	Availability	Price	Qty
T472472-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$201.90

Basic Description

Synonyms	5-[(Trimethylsilyl)ethynyl])-1-methylimidazole, 98% \| 1-methyl-5-[2-(trimethylsilyl)ethynyl]-1H-imidazole \| 5-[(Trimethylsilyl)ethynyl])-1-methylimidazole \| 1-methyl-5-((trimethylsilyl)ethynyl)-1H-imidazole \| 5-[(Trimethylsilyl)ethynyl]-1-methylimidazole
Specifications & Purity	≥98%

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 Trialkylsilanes Organic metalloid salts Azacyclic compounds Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	N-substituted imidazole - Heteroaromatic compound - Trialkylsilane - Azacycle - Organic metalloid salt - Organic nitrogen compound - Hydrocarbon derivative - Organosilicon compound - Alkylsilane - Organonitrogen compound - Organic metalloid moeity - 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

IUPAC Name	trimethyl-[2-(3-methylimidazol-4-yl)ethynyl]silane
INCHI	InChI=1S/C9H14N2Si/c1-11-8-10-7-9(11)5-6-12(2,3)4/h7-8H,1-4H3
InChIKey	ZNCKMUMVQDCZBO-UHFFFAOYSA-N
Smiles	CN1C=NC=C1C#C[Si](C)(C)C
Isomeric SMILES	CN1C=NC=C1C#C[Si](C)(C)C
WGK Germany	3
PubChem CID	4431629
Molecular Weight	178.31

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	178.310 g/mol
XLogP3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	178.093 Da
Monoisotopic Mass	178.093 Da
Topological Polar Surface Area	17.800 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	218.000
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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