Cas no 33143-92-9 (4-(2-Methylbut-3-yn-2-yl)oxybenzonitrile)

4-(2-Methylbut-3-yn-2-yl)oxybenzonitrile is a specialized organic compound featuring a benzonitrile core substituted with a 2-methylbut-3-yn-2-yloxy group. This structure imparts unique reactivity, making it valuable in synthetic chemistry, particularly as an intermediate in the preparation of pharmaceuticals, agrochemicals, and advanced materials. The presence of both nitrile and alkyne functionalities offers versatile sites for further chemical modifications, such as cycloadditions or nucleophilic substitutions. Its stability under standard conditions ensures ease of handling and storage. The compound’s well-defined molecular architecture enables precise control in multi-step syntheses, contributing to its utility in research and industrial applications requiring tailored organic frameworks.
4-(2-Methylbut-3-yn-2-yl)oxybenzonitrile structure
33143-92-9 structure
Product Name:4-(2-Methylbut-3-yn-2-yl)oxybenzonitrile
CAS No:33143-92-9
MF:C12H11NO
MW:185.221843004227
MDL:MFCD00174270
CID:303481
PubChem ID:2779072
Update Time:2025-10-19

4-(2-Methylbut-3-yn-2-yl)oxybenzonitrile Chemical and Physical Properties

Names and Identifiers

    • Benzonitrile,4-[(1,1-dimethyl-2-propyn-1-yl)oxy]-
    • 4-(2-methylbut-3-yn-2-yloxy)benzonitrile
    • 4-[(1,1-DIMETHYLPROP-2-YN-1-YL)OXY]BENZONITRILE
    • 4-[(1,1-DIMETHYLPROP-2-YNYL)OXY]BENZONITRILE
    • 4-[(2-Methylbut-3-yn-2-yl)oxy]benzonitrile
    • 3-(4-cyanophenoxy)-3-methylbut-1-yne
    • 3-(p-Cyanophenoxy)-3-methyl-but-1-in
    • 4-(1,1-dimethyl-2-propynyloxy)benzonitrile
    • 4-cyanophenyl 1,1-dimethylpropargyl ether
    • p-Cyanophenyl-1.1-dimethylpropargylether
    • 33143-92-9
    • 4-[(1,1-dimethyl-2-propynyl)oxy]benzonitrile
    • 4-(1,1-dimethyl-2propynyloxy)benzonitrile
    • BJBUSSBIFHSXBR-UHFFFAOYSA-N
    • 4-[(1,1-Dimethyl-2 -propynyl)oxy]benzonitrile
    • D87826
    • 3-(p-cyanophenoxy)-3-methybut-1-yne
    • AKOS000281021
    • 4-[(2-Methyl-3-butyn-2-yl)oxy]benzonitrile
    • 4-((2-Methylbut-3-yn-2-yl)oxy)benzonitrile
    • A821636
    • PS-8496
    • 4-[1,1-Dimethylprop-2-ynyl)oxy]benzonitrile
    • DTXSID00381260
    • CS-0314106
    • MFCD00174270
    • 4-[(1,1-Dimethyl-2-propynyl)oxy]benzonitrile, AldrichCPR
    • FT-0617299
    • 4-(1,1-dimethylprop-2-ynoxy)benzonitrile
    • SCHEMBL6948975
    • (1,1-DIOXIDO-2,3-DIHYDROTHIEN-3-YL)ACETICACID
    • DB-048345
    • 4-(2-Methylbut-3-yn-2-yl)oxybenzonitrile
    • MDL： MFCD00174270
    • Inchi： 1S/C12H11NO/c1-4-12(2,3)14-11-7-5-10(9-13)6-8-11/h1,5-8H,2-3H3
    • InChI Key： BJBUSSBIFHSXBR-UHFFFAOYSA-N
    • SMILES： O(C1C=CC(C#N)=CC=1)C(C#C)(C)C

Computed Properties

  • Exact Mass: 185.08400
  • Monoisotopic Mass: 185.084
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 2
  • Complexity: 280
  • 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: 2.3
  • Topological Polar Surface Area: 33?2

Experimental Properties

  • Density: 1.0±0.1 g/cm3
  • Melting Point: 30 °C
  • Boiling Point: 287.9±29.0 °C at 760 mmHg
  • Flash Point: 127.9±24.3 °C
  • Refractive Index: 1.534
  • PSA: 33.02000
  • LogP: 2.34888
  • Vapor Pressure: 0.0±0.6 mmHg at 25°C

4-(2-Methylbut-3-yn-2-yl)oxybenzonitrile Security Information

4-(2-Methylbut-3-yn-2-yl)oxybenzonitrile Customs Data

  • HS CODE：2926909090
  • Customs Data：

    China Customs Code:

    2926909090

    Overview:

    2926909090 Other nitrile based compounds. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:6.5% general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

4-(2-Methylbut-3-yn-2-yl)oxybenzonitrile Pricemore >>

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AB144809-250mg
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