Ethyl 2-(5-methyl-4H-1,2,4-triazol-3-yl)acetate

Base Information

• Chemical Name: Ethyl 2-(5-methyl-4H-1,2,4-triazol-3-yl)acetate
• CAS No.: 100187-10-8
• Molecular Formula: C7H11N3O2
• Molecular Weight: 169.18
• Hs Code.: 2933990090
• European Community (EC) Number: 695-078-1
• DSSTox Substance ID: DTXSID10428897
• Wikidata: Q72476278
• Mol file: 100187-10-8.mol

Synonyms:100187-10-8;Ethyl 2-(5-methyl-4H-1,2,4-triazol-3-yl)acetate;ethyl 2-(5-methyl-1H-1,2,4-triazol-3-yl)acetate;Ethyl (5-methyl-1H-1,2,4-triazol-3-yl)acetate;1H-1,2,4-Triazole-5-acetic acid, 3-methyl-, ethyl ester;DTXSID10428897;VAONPPCFYKJZBF-UHFFFAOYSA-N;MFCD11973618;STL433252;AKOS002286700;AKOS015991593;SS-3566;FT-0686332;EN300-238017;Ehyl 2-(5-methyl-1H-1,2,4-triazol-3-yl)acetate;ethyl (3-methyl-1 h -1,2,4-triazol-5-yl)acetate;F3267-0045;Z1201624435

Chemical Property of Ethyl 2-(5-methyl-4H-1,2,4-triazol-3-yl)acetate

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.517
• Boiling Point: 338.508 °C at 760 mmHg
• Flash Point: 158.524 °C
• PSA: 67.87000
• Density: 1.21 g/cm³
• LogP: 0.21870
• Storage Temp.: 2-8°C
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 169.085126602
• Heavy Atom Count: 12
• Complexity: 163

Purity/Quality:

98%min ^*data from raw suppliers

Ethyl 2-(5-methyl-4H-1,2,4-triazol-3-yl)acetate >97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)CC1=NNC(=N1)C
• Uses: Modification of Ethyl 2-(5-methyl-4H-1,2,4-triazol-3-yl)acetate leads to the development of triazolylacetic acid derivatives.