1-Isobutyl-1H-pyrazole-4-carbaldehyde

Base Information

• Chemical Name: 1-Isobutyl-1H-pyrazole-4-carbaldehyde
• CAS No.: 1006333-32-9
• Molecular Formula: C8H12N2O
• Molecular Weight: 152.19368
• Hs Code.: 2933199090
• European Community (EC) Number: 841-404-4
• DSSTox Substance ID: DTXSID30598869
• Wikidata: Q82494675
• Mol file: 1006333-32-9.mol

Synonyms:1-Isobutyl-1H-pyrazole-4-carbaldehyde;1006333-32-9;1-Isobutylpyrazole-4-carbaldehyde;1-(2-methylpropyl)pyrazole-4-carbaldehyde;1-(2-methylpropyl)-1H-pyrazole-4-carbaldehyde;1H-Pyrazole-4-carboxaldehyde, 1-(2-methylpropyl)-;SCHEMBL15651826;DTXSID30598869;AMY33023;MFCD08559037;STK351487;AKOS005167525;1-isobutyl-1h-pyrazole-4-carboxaldehyde;AS-68013;DB-162638;CS-0044860;EN300-92321;W17387;A897382;F8888-5908;Z381559354

Chemical Property of 1-Isobutyl-1H-pyrazole-4-carbaldehyde

Chemical Property:

• Boiling Point: 253.1±13.0 °C(Predicted)
• PKA: 0.15±0.10(Predicted)
• PSA: 34.89000
• Density: 1.05±0.1 g/cm3(Predicted)
• LogP: 1.35160
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 152.094963011
• Heavy Atom Count: 11
• Complexity: 136

Purity/Quality:

98%min ^*data from raw suppliers

1-Isobutylpyrazole-4-carbaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)CN1C=C(C=N1)C=O
• Uses: 1-Isobutylpyrazole-4-carbaldehyde is a building block used in organic synthesis.