1-Isobutyl-5-methyl-1H-tetrazole

Base Information

• Chemical Name: 1-Isobutyl-5-methyl-1H-tetrazole
• CAS No.: 89534-00-9
• Molecular Formula: C₆H₁₂N₄
• Molecular Weight: 140.188
• DSSTox Substance ID: DTXSID00237778
• Wikidata: Q83119999

Synonyms:1-Isobutyl-5-methyl-1H-tetrazole;1H-Tetrazole, 1-isobutyl-5-methyl-;89534-00-9;BRN 0124088;TT-020;1H-Tetrazole, 5-methyl-1-(2-methylpropyl)-;5-26-11-00078 (Beilstein Handbook Reference);SCHEMBL4410876;DTXSID00237778;LS-149160

Chemical Property of 1-Isobutyl-5-methyl-1H-tetrazole

Chemical Property:

• Vapor Pressure: 0.00459mmHg at 25°C
• Melting Point: 45-45.5 °C
• Boiling Point: 277.2°Cat760mmHg
• PKA: 1.34±0.11(Predicted)
• Flash Point: 121.4°C
• PSA: 43.60000
• Density: 1.14g/cm³
• LogP: 0.63750
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 140.106196400
• Heavy Atom Count: 10
• Complexity: 104

Purity/Quality:

99% ^*data from raw suppliers

1-ISOBUTYL-5-METHYL-1H-TETRAZOLE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NN=NN1CC(C)C

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