5-benzyl-3-tert-butyl-1H-pyrazole

Base Information

• Chemical Name: 5-benzyl-3-tert-butyl-1H-pyrazole
• CAS No.: 5556-46-7
• Molecular Formula: C₁₅H₂₄O₂S
• Molecular Weight: 268.42
• DSSTox Substance ID: DTXSID10970902
• Wikidata: Q82954217
• ChEMBL ID: CHEMBL1522071

Synonyms:3-benzyl-5-tert-butyl-1H-pyrazole;5556-46-7;5-benzyl-3-tert-butyl-1H-pyrazole;MLS000061442;CBMicro_024160;ChemDiv2_002207;Cambridge id 5556467;MixCom6_001184;CHEMBL1522071;DTXSID10970902;HMS1375E07;HMS2445H14;CCG-11454;STK085674;AKOS005393155;SMR000069852;BIM-0024306.P001;AB00088973-01;SR-01000513284;SR-01000513284-1

Chemical Property of 5-benzyl-3-tert-butyl-1H-pyrazole

Chemical Property:

• Vapor Pressure: 0.000108mmHg at 25°C
• Boiling Point: 347.5°C at 760 mmHg
• Flash Point: 148.9°C
• Density: 1.034g/cm³
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 214.146998583
• Heavy Atom Count: 16
• Complexity: 213

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)C1=NNC(=C1)CC2=CC=CC=C2

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