Cas no 21883-13-6 (4-Methoxy-2-methylbenzonitrile)

4-Methoxy-2-methylbenzonitrile is a versatile aromatic nitrile compound characterized by the presence of a methoxy (-OCH?) and a methyl (-CH?) substituent on the benzene ring. This structure imparts unique reactivity, making it a valuable intermediate in organic synthesis, particularly in the preparation of pharmaceuticals, agrochemicals, and specialty chemicals. Its electron-rich aromatic system facilitates electrophilic substitution reactions, while the nitrile group offers functionalization potential via hydrolysis or reduction. The compound's stability and well-defined purity make it suitable for precise synthetic applications. It is commonly employed in research and industrial settings where controlled modification of aromatic frameworks is required.
4-Methoxy-2-methylbenzonitrile structure
21883-13-6 structure
Product Name:4-Methoxy-2-methylbenzonitrile
CAS No:21883-13-6
MF:C9H9NO
MW:147.173862218857
MDL:MFCD03425692
CID:250298
PubChem ID:3801022
Update Time:2025-11-01

4-Methoxy-2-methylbenzonitrile Chemical and Physical Properties

Names and Identifiers

    • 4-Methoxy-2-methylbenzonitrile
    • 2-methyl-4-methoxybenzonitrile
    • Benzonitrile,4-methoxy-2-methyl-
    • 2-methyl-p-anisonitrile
    • 4-methoxy-2-methylbenzenecarbonitrile
    • 4-Methoxy-2-methyl-benzonitril
    • 4-methoxy-2-methyl-benzonitrile
    • Benzonitrile, 4-methoxy-2-methyl-
    • 4-Cyano-3-methylanisole
    • KSC494O9P
    • PXAQQUKODRZAOZ-UHFFFAOYSA-N
    • 2-methyl-4-(methyloxy)benzonitrile
    • AS07023
    • SY024381
    • ST2405854
    • W4517
    • CS-0096819
    • FT-0676574
    • DTXSID40396611
    • SCHEMBL509379
    • AKOS006343473
    • A878888
    • J-014329
    • 2-Cyano-5-methoxytoluene
    • MS-1940
    • EN300-211509
    • F13724
    • 21883-13-6
    • MFCD03425692
    • MDL： MFCD03425692
    • Inchi： 1S/C9H9NO/c1-7-5-9(11-2)4-3-8(7)6-10/h3-5H,1-2H3
    • InChI Key： PXAQQUKODRZAOZ-UHFFFAOYSA-N
    • SMILES： O(C)C1=CC=C(C#N)C(C)=C1

Computed Properties

  • Exact Mass: 147.06800
  • Monoisotopic Mass: 147.068
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 1
  • Complexity: 170
  • 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: 1.6
  • Topological Polar Surface Area: 33

Experimental Properties

  • Color/Form: No data avaiable
  • Density: 1.06±0.1 g/cm3 (20 oC 760 Torr),
  • Melting Point: No data available
  • Boiling Point: 274.7±20.0 oC (760 Torr),
  • Flash Point: 115.3±15.6 oC,
  • Refractive Index: 1.522
  • Solubility: Very slightly soluble (0.34 g/l) (25 o C),
  • PSA: 33.02000
  • LogP: 1.87528
  • Vapor Pressure: No data available

4-Methoxy-2-methylbenzonitrile Security Information

4-Methoxy-2-methylbenzonitrile 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-Methoxy-2-methylbenzonitrile Pricemore >>

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