2-Ethylbenzene-1,4-dicarbonitrile

Base Information

• Chemical Name: 2-Ethylbenzene-1,4-dicarbonitrile
• CAS No.: 175278-32-7
• Molecular Formula: C10H8N2
• Molecular Weight: 156.18
• Hs Code.: 2926909090
• DSSTox Substance ID: DTXSID60371127
• Wikidata: Q82158381
• Mol file: 175278-32-7.mol

Synonyms:175278-32-7;1,4-Dicyano-2-ethylbenzene;2-Ethylterephthalonitrile;2-ethylbenzene-1,4-dicarbonitrile;1,4-Benzenedicarbonitrile,2-ethyl-;SCHEMBL23018392;DTXSID60371127;MFCD00221463;1,4-Benzenedicarbonitrile, 2-ethyl-;AKOS006227785;FS-3557;CS-0316398;FT-0612296;A812054

Chemical Property of 2-Ethylbenzene-1,4-dicarbonitrile

Chemical Property:

• Vapor Pressure: 0.00159mmHg at 25°C
• Melting Point: 98-100 °C
• Refractive Index: 1.545
• Boiling Point: 294.8 °C at 760 mmHg
• Flash Point: 136.6 °C
• PSA: 47.58000
• Density: 1.09 g/cm³
• LogP: 1.99236
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 156.068748264
• Heavy Atom Count: 12
• Complexity: 239

Purity/Quality:

98%min ^*data from raw suppliers

1,4-Dicyano-2-ethylbenzene 98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.
• Safety Statements: S36/37:Wear suitable protective clothing and gloves.

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=C(C=CC(=C1)C#N)C#N