Cas no 37067-93-9 (2-ethynyl-1-methyl-1H-imidazole)

2-Ethynyl-1-methyl-1H-imidazole is a versatile heterocyclic compound featuring an ethynyl group attached to a methyl-substituted imidazole core. Its structure combines the reactivity of an alkyne with the electron-rich properties of an imidazole ring, making it a valuable intermediate in organic synthesis and pharmaceutical research. The compound is particularly useful in click chemistry applications, such as copper-catalyzed azide-alkyne cycloaddition (CuAAC), due to its terminal alkyne functionality. Additionally, its methyl group enhances stability while maintaining reactivity. This compound is suitable for constructing complex molecular architectures, including bioactive molecules and functional materials, offering synthetic flexibility and efficiency in targeted applications.

2-ethynyl-1-methyl-1H-imidazole structure

37067-93-9 structure

Product Name:2-ethynyl-1-methyl-1H-imidazole

CAS No:37067-93-9

MF:C₆H₆N₂

MW:106.125240802765

CID:296601

PubChem ID:12514206

Update Time:2025-05-27

2-ethynyl-1-methyl-1H-imidazole Chemical and Physical Properties

Names and Identifiers

- 1H-Imidazole,2-ethynyl-1-methyl-
- 2-ethynyl-1-methylimidazole
- 1-METHYL-2-ETHYNYL-IMIDAZOLE
- 2-ethynyl-1-methyl-1H-imidazole
- 2-Ethynyl-1-methylimidazol
- AG-F-29728
- CTK4H7644
- 37067-93-9
- ethynyl-N-methylimidazole
- DTXSID80500992
- D76704
- EN300-139702
- A1-15003
- AKOS010651487
- SCHEMBL3062065
- CS-0107198
- DB-338436
- Inchi： 1S/C6H6N2/c1-3-6-7-4-5-8(6)2/h1,4-5H,2H3
- InChI Key： BDHWWGOWOGACLG-UHFFFAOYSA-N
- SMILES： N1(C)C=CN=C1C#C

Computed Properties

Exact Mass: 106.05318
Monoisotopic Mass: 106.053098200g/mol
Isotope Atom Count: 0
Hydrogen Bond Donor Count: 0
Hydrogen Bond Acceptor Count: 1
Heavy Atom Count: 8
Rotatable Bond Count: 1
Complexity: 122
Covalently-Bonded Unit Count: 1
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count : 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
XLogP3: 0.3
Topological Polar Surface Area: 17.8?2

Experimental Properties

Density: 0.9±0.1 g/cm3
Boiling Point: 216.4±23.0 °C at 760 mmHg
Flash Point: 84.7±22.6 °C
PSA: 17.82
Vapor Pressure: 0.1±0.4 mmHg at 25°C

2-ethynyl-1-methyl-1H-imidazole Security Information

Signal Word：warning
Hazard Statement： H303May be harmful if swallowed+H313Skin contact may be harmful+H333Inhalation may be harmful to the body
Warning Statement： P264+P280+P305+P351+P338+P337+P313
Safety Instruction： H303+H313+H333
Storage Condition：storage at -4℃ (1-2weeks), longer storage period at -20℃ (1-2years)

2-ethynyl-1-methyl-1H-imidazole Pricemore >>

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