tert-Butyl 4-formyl-3,5-dimethyl-1H-pyrazole-1-carboxylate

Base Information

• Chemical Name: tert-Butyl 4-formyl-3,5-dimethyl-1H-pyrazole-1-carboxylate
• CAS No.: 844891-13-0
• Molecular Formula: C11H16N2O3
• Molecular Weight: 224.26
• Hs Code.: 2933199090
• DSSTox Substance ID: DTXSID40383763
• Wikidata: Q82175555
• Mol file: 844891-13-0.mol

Synonyms:tert-Butyl 4-formyl-3,5-dimethyl-1H-pyrazole-1-carboxylate;844891-13-0;tert-butyl 4-formyl-3,5-dimethylpyrazole-1-carboxylate;TERT-BUTYL4-FORMYL-3,5-DIMETHYL-1H-PYRAZOLE-1-CARBOXYLATE;3,5-Dimethyl-4-formyl-1H-pyrazole, N1-BOC protected;DTXSID40383763;MFCD06659076;AKOS016010074;PS-3694;CS-0055116;FT-0729486;EN300-7379699;J-524702;3,5-Dimethyl-4-formyl-1H-pyrazole,N1-Boc protected

Chemical Property of tert-Butyl 4-formyl-3,5-dimethyl-1H-pyrazole-1-carboxylate

Chemical Property:

• Vapor Pressure: 9.99E-05mmHg at 25°C
• Melting Point: 59 °C
• Refractive Index: 1.519
• Boiling Point: 338.2 °C at 760 mmHg
• Flash Point: 158.3 °C
• PSA: 61.19000
• Density: 1.12 g/cm³
• LogP: 2.09560
• Storage Temp.: 2-8°C
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 224.11609238
• Heavy Atom Count: 16
• Complexity: 285

Purity/Quality:

99% ^*data from raw suppliers

3,5-Dimethyl-4-formyl-1H-pyrazole, N1-Boc protected 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(=NN1C(=O)OC(C)(C)C)C)C=O