3-Cyano-6,7-dimethylchromone

Base Information

• Chemical Name: 3-Cyano-6,7-dimethylchromone
• CAS No.: 94978-86-6
• Molecular Formula: C12H9 N O2
• Molecular Weight: 199.21
• Hs Code.: 29329900
• European Community (EC) Number: 622-294-5
• DSSTox Substance ID: DTXSID70352907
• Nikkaji Number: J2.015.871I
• Wikidata: Q82130326
• Mol file: 94978-86-6.mol

Synonyms:3-Cyano-6,7-dimethylchromone;94978-86-6;6,7-dimethyl-4-oxo-4h-chromene-3-carbonitrile;6,7-dimethyl-4-oxochromene-3-carbonitrile;SCHEMBL13978666;DTXSID70352907;MFCD00191957;AKOS015916667;FT-0692840

Chemical Property of 3-Cyano-6,7-dimethylchromone

Chemical Property:

• Vapor Pressure: 5.26E-05mmHg at 25°C
• Melting Point: 206-209 °C(lit.)
• Boiling Point: 347.8°Cat760mmHg
• Flash Point: 151.8°C
• PSA: 54.00000
• Density: 1.25g/cm³
• LogP: 2.28148
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 199.063328530
• Heavy Atom Count: 15
• Complexity: 363

Purity/Quality:

99% ^*data from raw suppliers

6,7-Dimethyl-4-oxo-4H-chromene-3-carbonitrile 97% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC2=C(C=C1C)OC=C(C2=O)C#N