Cas no 884504-20-5 (3,4-dimethylbenzoylacetonitrile)

3,4-Dimethylbenzoylacetonitrile is a versatile organic compound characterized by its benzoylacetonitrile backbone with methyl substituents at the 3- and 4-positions. This structural configuration enhances its reactivity and utility in synthetic chemistry, particularly as an intermediate in the preparation of pharmaceuticals, agrochemicals, and specialty chemicals. The electron-withdrawing nitrile group and aromatic methyl substitutions contribute to its stability and selectivity in condensation and cyclization reactions. Its well-defined molecular structure ensures consistent performance in complex synthetic pathways. The compound is typically supplied with high purity, making it suitable for precision applications in research and industrial processes. Proper handling and storage are recommended to maintain its integrity.
3,4-dimethylbenzoylacetonitrile structure
884504-20-5 structure
Product Name:3,4-dimethylbenzoylacetonitrile
CAS No:884504-20-5
MF:C11H11NO
MW:173.211142778397
MDL:MFCD02260786
CID:710518
PubChem ID:20387502
Update Time:2025-10-30

3,4-dimethylbenzoylacetonitrile Chemical and Physical Properties

Names and Identifiers

    • Benzenepropanenitrile,3,4-dimethyl-b-oxo-
    • 3-(3,4-dimethylphenyl)-3-oxopropanenitrile
    • 3,4-Dimethylbenzoylacetonitrile
    • 3,4-DiMethyl-Benzoylacetonitrile
    • AKOS000196038
    • EN300-211848
    • SCHEMBL3591477
    • FT-0604180
    • 884504-20-5
    • MFCD02260786
    • DTXSID90606555
    • FFWSHSVDWFTXCI-UHFFFAOYSA-N
    • CS-0239398
    • Z317041996
    • 3,4-dimethylbenzoylacetonitrile
    • MDL： MFCD02260786
    • Inchi： 1S/C11H11NO/c1-8-3-4-10(7-9(8)2)11(13)5-6-12/h3-4,7H,5H2,1-2H3
    • InChI Key： FFWSHSVDWFTXCI-UHFFFAOYSA-N
    • SMILES： O=C(CC#N)C1C=CC(C)=C(C)C=1

Computed Properties

  • Exact Mass: 173.08400
  • Monoisotopic Mass: 173.084
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2
  • Complexity: 238
  • 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
  • Topological Polar Surface Area: 40.9A^2
  • XLogP3: 2.2

Experimental Properties

  • Density: 1.06
  • Boiling Point: 344.3°C at 760 mmHg
  • Flash Point: 162°C
  • Refractive Index: 1.53
  • PSA: 40.86000
  • LogP: 2.39978

3,4-dimethylbenzoylacetonitrile 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%

3,4-dimethylbenzoylacetonitrile Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
TRC
B431075-5mg
3,4-dimethylbenzoylacetonitrile
 884504-20-5
5mg
 $ 50.00 2022-06-07
TRC
B431075-10mg
3,4-dimethylbenzoylacetonitrile
 884504-20-5
10mg
 $ 65.00 2022-06-07
TRC
B431075-50mg
3,4-dimethylbenzoylacetonitrile
 884504-20-5
50mg
 $ 95.00 2022-06-07
abcr
AB367000-1 g
3,4-Dimethylbenzoylacetonitrile, 97%; .
 884504-20-5 97%
1g
 €513.80 2023-04-26
abcr
AB367000-2 g
3,4-Dimethylbenzoylacetonitrile, 97%; .
 884504-20-5 97%
2g
 €748.70 2023-04-26
Fluorochem
206978-1g
3,4-Dimethylbenzoylacetonitrile
 884504-20-5 97%
1g
 ￡277.00 2022-03-01
Fluorochem
206978-2g
3,4-Dimethylbenzoylacetonitrile
 884504-20-5 97%
2g
 ￡424.00 2022-03-01
Fluorochem
206978-5g
3,4-Dimethylbenzoylacetonitrile
 884504-20-5 97%
5g
 ￡862.00 2022-03-01
Enamine
EN300-211848-0.05g
3-(3,4-dimethylphenyl)-3-oxopropanenitrile
 884504-20-5 95.0%
0.05g
 $64.0 2025-02-20
Enamine
EN300-211848-0.1g
3-(3,4-dimethylphenyl)-3-oxopropanenitrile
 884504-20-5 95.0%
0.1g
 $96.0 2025-02-20

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