3-(3,5-Dimethylphenyl)-3-oxopropanenitrile

Base Information

• Chemical Name: 3-(3,5-Dimethylphenyl)-3-oxopropanenitrile
• CAS No.: 85692-25-7
• Molecular Formula: C11H11 N O
• Molecular Weight: 173.214
• Hs Code.: 2926909090
• DSSTox Substance ID: DTXSID60557580
• Wikidata: Q82439530
• Mol file: 85692-25-7.mol

Synonyms:85692-25-7;3,5-DIMETHYLBENZOYLACETONITRILE;3-(3,5-dimethylphenyl)-3-oxopropanenitrile;MFCD00158942;3-(3,5-dimethyl-phenyl)-3-oxo-propionitrile;SCHEMBL4850442;DTXSID60557580;CGJSYGBBRTZOCF-UHFFFAOYSA-N;AKOS000179734;EN300-52025;G22091;Z317042098

Chemical Property of 3-(3,5-Dimethylphenyl)-3-oxopropanenitrile

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 338.841oC at 760 mmHg
• Flash Point: 158.725oC
• PSA: 40.86000
• Density: 1.06g/cm3
• LogP: 2.39978
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 173.084063974
• Heavy Atom Count: 13
• Complexity: 228

Purity/Quality:

99% ^*data from raw suppliers

3,5-dimethylbenzoylacetonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

Useful:

• Canonical SMILES: CC1=CC(=CC(=C1)C(=O)CC#N)C