Cas no 53078-70-9 (2-Methoxy-5-methylbenzonitrile)

2-Methoxy-5-methylbenzonitrile is a versatile aromatic nitrile compound characterized by its methoxy and methyl substituents on the benzene ring. This structure imparts unique reactivity, making it valuable as an intermediate in organic synthesis, particularly in pharmaceuticals and agrochemicals. Its electron-rich aromatic system facilitates electrophilic substitution reactions, while the nitrile group offers functionalization potential for amides, acids, or heterocycles. The compound's stability and well-defined physicochemical properties ensure consistent performance in synthetic applications. It is commonly employed in the preparation of fine chemicals and active pharmaceutical ingredients (APIs), where precise molecular architecture is critical. Proper handling and storage under inert conditions are recommended to maintain purity.
2-Methoxy-5-methylbenzonitrile structure
53078-70-9 structure
Product Name:2-Methoxy-5-methylbenzonitrile
CAS No:53078-70-9
MF:C9H9NO
MW:147.173862218857
MDL:MFCD03425693
CID:56348
PubChem ID:24882669
Update Time:2025-06-07

2-Methoxy-5-methylbenzonitrile Chemical and Physical Properties

Names and Identifiers

    • 2-Methoxy-5-methylbenzonitrile
    • 2-cyano-4-methylanisole
    • 2-Methoxy-5-methyl-benzonitril
    • 2-methoxy-5-methyl-benzonitrile
    • 3-Cyano-4-methoxytoluol
    • 6-Methoxy-3-methyl-benzoesaeure-nitril
    • Benzonitrile,2-methoxy-5-methyl
    • Methylaether-p-kresotinsaeure-nitril
    • o-Anisonitrile,5-methyl- (6CI)
    • Benzonitrile,2-methoxy-5-methyl-
    • MYOASWSDRGHGLN-UHFFFAOYSA-N
    • FC0846
    • 7519AB
    • FS000900
    • AM804005
    • SY023524
    • 2-Methoxy-5-methylbenzonitrile, 97%
    • 53078-70-9
    • AKOS005151585
    • FS-4348
    • FT-0676575
    • DTXSID00396612
    • A7731
    • MFCD03425693
    • CS-W018209
    • SCHEMBL5029109
    • DB-021276
    • MDL： MFCD03425693
    • Inchi： 1S/C9H9NO/c1-7-3-4-9(11-2)8(5-7)6-10/h3-5H,1-2H3
    • InChI Key： MYOASWSDRGHGLN-UHFFFAOYSA-N
    • SMILES： O(C)C1C=CC(C)=CC=1C#N

Computed Properties

  • Exact Mass: 147.06800
  • Monoisotopic Mass: 147.068413911g/mol
  • 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
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 2.1
  • Topological Polar Surface Area: 33

Experimental Properties

  • Color/Form: solid
  • Density: 1.063?g/mL?at 25?°C(lit.)
  • Boiling Point: 160?°C/15?mmHg(lit.)
  • Flash Point: Degrees Fahrenheit:>230°F
    Degrees Celsius:>110°C
  • Refractive Index: n20/D 1.5430(lit.)
  • PSA: 33.02000
  • LogP: 1.87528
  • Solubility: Not available

2-Methoxy-5-methylbenzonitrile Security Information

  • Symbol: GHS07
  • Signal Word：Warning
  • Hazard Statement： H317
  • Warning Statement： P280
  • Hazardous Material transportation number：NONH for all modes of transport
  • WGK Germany：3
  • Hazard Category Code： 43
  • Safety Instruction： S36/37
  • Hazardous Material Identification： Xi
  • Safety Term：S36/37
  • HazardClass：IRRITANT
  • Risk Phrases：R43

2-Methoxy-5-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%

2-Methoxy-5-methylbenzonitrile Pricemore >>

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