1,2-Dihydro-3-oxo-2-phenyl-3H-pyrazol-1-yl ethyl carbonate

Base Information

• Chemical Name: 1,2-Dihydro-3-oxo-2-phenyl-3H-pyrazol-1-yl ethyl carbonate
• CAS No.: 71486-50-5
• Molecular Formula: C12H12 N2 O4
• Molecular Weight: 248.23468
• European Community (EC) Number: 275-523-2
• DSSTox Substance ID: DTXSID80991922
• Nikkaji Number: J289.166B
• Wikidata: Q82981881
• Mol file: 71486-50-5.mol

Synonyms:71486-50-5;Ethyl (3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-1-yl) carbonate;EINECS 275-523-2;1,2-Dihydro-3-oxo-2-phenyl-3H-pyrazol-1-yl ethyl carbonate;DTXSID80991922;LGWFCQQARLTHNQ-UHFFFAOYSA-N;NS00061601;1-[(Ethoxycarbonyl)oxy]-2-phenyl-1,2-dihydro-3H-pyrazol-3-one

Chemical Property of 1,2-Dihydro-3-oxo-2-phenyl-3H-pyrazol-1-yl ethyl carbonate

Chemical Property:

• Vapor Pressure: 0.000135mmHg at 25°C
• Boiling Point: 333.6°C at 760 mmHg
• PKA: -0.49±0.20(Predicted)
• Flash Point: 155.6°C
• PSA: 62.46000
• Density: 1.35g/cm³
• LogP: 1.22410
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 248.07970687
• Heavy Atom Count: 18
• Complexity: 350

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)ON1C=CC(=O)N1C2=CC=CC=C2