1-Tert-butyl-3-methyl-1H-pyrazole

Base Information

• Chemical Name: 1-Tert-butyl-3-methyl-1H-pyrazole
• CAS No.: 191089-20-0
• Molecular Formula: C8H14N2
• Molecular Weight: 138.21016
• DSSTox Substance ID: DTXSID10591116
• Nikkaji Number: J880.473G
• Wikidata: Q82484787
• Mol file: 191089-20-0.mol

Synonyms:191089-20-0;1-TERT-BUTYL-3-METHYL-1H-PYRAZOLE;1-(tert-Butyl)-3-methyl-1H-pyrazole;1-tert-butyl-3-methylpyrazole;1-tert-Butyl-3-methyl-1H-pyrazole, tech grade;1H-Pyrazole, 1-(1,1-dimethylethyl)-3-methyl-;SCHEMBL2749111;DTXSID10591116;MFCD09965818;STL589061;AKOS006346555;BS-21970;DB-337407

Chemical Property of 1-Tert-butyl-3-methyl-1H-pyrazole

Chemical Property:

• Boiling Point: 188.1±9.0 °C(Predicted)
• PKA: 2.78±0.10(Predicted)
• PSA: 17.82000
• Density: 0.92±0.1 g/cm3(Predicted)
• LogP: 1.94650
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 138.115698455
• Heavy Atom Count: 10
• Complexity: 115

Purity/Quality:

1-tert-Butyl-3-methyl-1H-pyrazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NN(C=C1)C(C)(C)C

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