1-tert-butyl-1H-pyrazole-4-carbonitrile

Base Information

• Chemical Name: 1-tert-butyl-1H-pyrazole-4-carbonitrile
• CAS No.: 149139-43-5
• Molecular Formula: C8H11N3
• Molecular Weight: 149.19
• Hs Code.: 2933199090
• European Community (EC) Number: 865-338-0
• DSSTox Substance ID: DTXSID10449522
• Wikidata: Q82269026
• Mol file: 149139-43-5.mol

Synonyms:149139-43-5;1-tert-butyl-1H-pyrazole-4-carbonitrile;1-(tert-Butyl)-1H-pyrazole-4-carbonitrile;1-tert-butylpyrazole-4-carbonitrile;1H-Pyrazole-4-carbonitrile, 1-(1,1-dimethylethyl)-;SCHEMBL6985537;DTXSID10449522;AMY11899;ZFA13943;MFCD16620377;AKOS016008457;1-t-Butyl-1H-pyrazole-4-carbonitrile;DS-4618;SB12163;CS-0043991;FT-0710007;EN300-115253;F17275;J-505144;Z1255418057

Chemical Property of 1-tert-butyl-1H-pyrazole-4-carbonitrile

Chemical Property:

• Boiling Point: 251.0±13.0 °C(Predicted)
• PKA: -1.35±0.10(Predicted)
• PSA: 41.61000
• Density: 1.00±0.1 g/cm3(Predicted)
• LogP: 1.50978
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 149.095297364
• Heavy Atom Count: 11
• Complexity: 183

Purity/Quality:

NLT 98% ^*data from raw suppliers

1-tert-Butyl-1H-pyrazole-4-carbonitrile 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)N1C=C(C=N1)C#N