Cas no 3111-61-3 (Propanedinitrile,2-[1-(4-methylphenyl)ethylidene]-)

Propanedinitrile,2-[1-(4-methylphenyl)ethylidene]- is a specialized organic compound featuring a dinitrile functional group attached to a substituted ethylidene moiety. Its structure, incorporating a 4-methylphenyl group, enhances its utility in synthetic chemistry, particularly as an intermediate in the preparation of heterocyclic compounds or conjugated systems. The presence of both nitrile and aromatic functionalities allows for versatile reactivity, including nucleophilic additions or cyclization reactions. This compound is valued for its potential applications in materials science and pharmaceutical research, where its electron-accepting properties may contribute to the development of advanced organic electronic materials or bioactive molecules. Its stability and well-defined reactivity profile make it a reliable building block in complex syntheses.
Propanedinitrile,2-[1-(4-methylphenyl)ethylidene]- structure
3111-61-3 structure
Product Name:Propanedinitrile,2-[1-(4-methylphenyl)ethylidene]-
CAS No:3111-61-3
MF:C12H10N2
MW:182.221202373505
CID:323301
PubChem ID:263669
Update Time:2025-06-07

Propanedinitrile,2-[1-(4-methylphenyl)ethylidene]- Chemical and Physical Properties

Names and Identifiers

    • Propanedinitrile,2-[1-(4-methylphenyl)ethylidene]-
    • 2-[1-(4-methylphenyl)ethylidene]propanedinitrile
    • [1-(4-Methylphenyl)ethylidene]malononitrile
    • AKOS002663338
    • NSC-98325
    • SCHEMBL15626973
    • 3111-61-3
    • DTXSID40294820
    • NCIOpen2_001816
    • Propanedinitrile, 2-[1-(4-methylphenyl)ethylidene]-
    • MFCD00767576
    • 2T-0310
    • NSC98325
    • Inchi： 1S/C12H10N2/c1-9-3-5-11(6-4-9)10(2)12(7-13)8-14/h3-6H,1-2H3
    • InChI Key： XYWJLFIDPXBVOD-UHFFFAOYSA-N
    • SMILES： N#C/C(/C#N)=C(/C)\C1C=CC(C)=CC=1

Computed Properties

  • Exact Mass: 182.0845
  • Monoisotopic Mass: 182.084
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 1
  • Complexity: 308
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.5
  • Topological Polar Surface Area: 47.6?2

Experimental Properties

  • Density: 1.074
  • Boiling Point: 305.7°Cat760mmHg
  • Flash Point: 136.7°C
  • Refractive Index: 1.556
  • PSA: 47.58
  • LogP: 2.81566

Propanedinitrile,2-[1-(4-methylphenyl)ethylidene]- Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
abcr
AB579997-500mg
2-[1-(4-Methylphenyl)ethylidene]propanedinitrile; .
 3111-61-3
500mg
 €497.00 2024-08-02
abcr
AB579997-1g
2-[1-(4-Methylphenyl)ethylidene]propanedinitrile; .
 3111-61-3
1g
 €769.30 2024-08-02

Propanedinitrile,2-[1-(4-methylphenyl)ethylidene]- Suppliers

Amadis Chemical Company Limited
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(CAS:3111-61-3)Propanedinitrile,2-[1-(4-methylphenyl)ethylidene]-
Order Number:A1225883
Stock Status:in Stock
Quantity:1g/500mg
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 19:36
Price ($):456/295

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Recommended suppliers
Amadis Chemical Company Limited
(CAS:3111-61-3)Propanedinitrile,2-[1-(4-methylphenyl)ethylidene]-
A1225883
Purity:99%/99%
Quantity:1g/500mg
Price ($):456/295
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