Cas no 71825-51-9 (2-Methyl-2-(4-nitrophenyl)propanenitrile)

2-Methyl-2-(4-nitrophenyl)propanenitrile is a nitrile-based organic compound featuring a nitro-substituted aromatic ring. Its structural properties, including the sterically hindered tertiary carbon center and electron-withdrawing nitro group, make it a valuable intermediate in synthetic organic chemistry. The compound is particularly useful in the preparation of pharmaceuticals, agrochemicals, and specialty materials due to its reactivity in nucleophilic substitution and condensation reactions. Its stability under standard conditions and compatibility with various reaction media enhance its utility in multi-step synthesis. Researchers value this compound for its role in constructing complex molecular frameworks, particularly in the development of bioactive molecules and functionalized aromatic systems.
2-Methyl-2-(4-nitrophenyl)propanenitrile structure
71825-51-9 structure
Product Name:2-Methyl-2-(4-nitrophenyl)propanenitrile
CAS No:71825-51-9
MF:C10H10N2O2
MW:190.198602199554
MDL:MFCD00844930
CID:832620
PubChem ID:823615
Update Time:2025-10-30

2-Methyl-2-(4-nitrophenyl)propanenitrile Chemical and Physical Properties

Names and Identifiers

    • 2-Methyl-2-(4-nitrophenyl)propionitrile
    • BENZENEACETONITRILE, A,A-DIMETHYL-4-NITRO-
    • 2-methyl-2-(4-nitrophenyl)propanenitrile
    • p-nitrocumyl cyanide
    • 2-methyl-2-(4-nitrophenyl)propanonitril
    • AMBZ0316
    • XZVURMRLCAFELZ-UHFFFAOYSA-N
    • WT81708
    • PB19893
    • AM85889
    • 2-{4-nitrophenyl}-2-methylpropanenitrile
    • 2-methyl-2-(4-nitrophenyl) propanenitrile
    • 2-methyl-2-(4-n
    • BCP31974
    • 2-methyl-2-(4-nitro-phenyl)-propionitrile
    • 71825-51-9
    • CS-B0354
    • AKOS006272838
    • FT-0658087
    • SCHEMBL395484
    • DTXSID60356414
    • AG-670/36154045
    • A837337
    • DS-14157
    • MFCD00844930
    • 2-Methyl-2-(4-nitrophenyl)propanenitrile
    • MDL： MFCD00844930
    • Inchi： 1S/C10H10N2O2/c1-10(2,7-11)8-3-5-9(6-4-8)12(13)14/h3-6H,1-2H3
    • InChI Key： XZVURMRLCAFELZ-UHFFFAOYSA-N
    • SMILES： [O-][N+](C1C=CC(=CC=1)C(C#N)(C)C)=O

Computed Properties

  • Exact Mass: 190.07400
  • Monoisotopic Mass: 190.074227566g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 1
  • Complexity: 264
  • 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: 69.6

Experimental Properties

  • Density: 1.178±0.06 g/cm3 (20 oC 760 Torr),
  • Melting Point: 80-81.5 oC
  • Boiling Point: 330.6°C at 760 mmHg
  • Solubility: Very slightly soluble (0.27 g/l) (25 o C),
  • PSA: 69.61000
  • LogP: 2.91918

2-Methyl-2-(4-nitrophenyl)propanenitrile Security Information

  • Signal Word：Warning
  • Hazard Statement： H302
  • Warning Statement： P280-P305+P351+P338
  • Storage Condition：Sealed in dry,Room Temperature

2-Methyl-2-(4-nitrophenyl)propanenitrile 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-Methyl-2-(4-nitrophenyl)propanenitrile Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
SHANG HAI XIAN DING Biotechnology Co., Ltd.
B-JY412-1g
2-Methyl-2-(4-nitrophenyl)propanenitrile
 71825-51-9 97%
1g
 556CNY 2021-05-08
SHANG HAI XIAN DING Biotechnology Co., Ltd.
B-JY412-5g
2-Methyl-2-(4-nitrophenyl)propanenitrile
 71825-51-9 97%
5g
 1689CNY 2021-05-08
SHANG HAI XIAN DING Biotechnology Co., Ltd.
B-JY412-100mg
2-Methyl-2-(4-nitrophenyl)propanenitrile
 71825-51-9 97%
100mg
 100CNY 2021-05-08
SHANG HAI XIAN DING Biotechnology Co., Ltd.
B-JY412-250mg
2-Methyl-2-(4-nitrophenyl)propanenitrile
 71825-51-9 97%
250mg
 221CNY 2021-05-08
SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd.
M893375-5g
2-Methyl-2-(4-nitrophenyl)propanenitrile
 71825-51-9 97%
5g
 ￥1,048.50 2022-01-10
SHANG HAI XIAN DING Biotechnology Co., Ltd.
B-OU055-200mg
2-Methyl-2-(4-nitrophenyl)propanenitrile
 71825-51-9 97%
200mg
 129.0CNY 2021-08-05
SHANG HAI XIAN DING Biotechnology Co., Ltd.
B-OU055-1g
2-Methyl-2-(4-nitrophenyl)propanenitrile
 71825-51-9 97%
1g
 394.0CNY 2021-08-05
SHANG HAI XIAN DING Biotechnology Co., Ltd.
B-OU055-50mg
2-Methyl-2-(4-nitrophenyl)propanenitrile
 71825-51-9 97%
50mg
 55.0CNY 2021-08-05
SHANG HAI XIAN DING Biotechnology Co., Ltd.
B-OU055-5g
2-Methyl-2-(4-nitrophenyl)propanenitrile
 71825-51-9 97%
5g
 1199.0CNY 2021-08-05
TRC
M350733-250mg
2-Methyl-2-(4-nitrophenyl)propanenitrile
 71825-51-9
250mg
 $ 50.00 2022-06-03

2-Methyl-2-(4-nitrophenyl)propanenitrile Production Method

2-Methyl-2-(4-nitrophenyl)propanenitrile Related Literature

Additional information on 2-Methyl-2-(4-nitrophenyl)propanenitrile

Recent Advances in the Study of 2-Methyl-2-(4-nitrophenyl)propanenitrile (CAS: 71825-51-9) in Chemical Biology and Pharmaceutical Research

The compound 2-Methyl-2-(4-nitrophenyl)propanenitrile (CAS: 71825-51-9) has recently garnered significant attention in the field of chemical biology and pharmaceutical research. This nitrile derivative, characterized by its unique structural features, has been investigated for its potential applications in drug discovery, organic synthesis, and material science. Recent studies have explored its reactivity, biological activity, and utility as a building block for more complex molecules.

One of the key areas of interest is the role of 2-Methyl-2-(4-nitrophenyl)propanenitrile in the synthesis of pharmacologically active compounds. Researchers have demonstrated its efficacy as an intermediate in the preparation of heterocyclic compounds, which are often found in drugs targeting various diseases. For instance, its nitrile group can be transformed into other functional groups, such as carboxylic acids or amines, enabling the construction of diverse molecular scaffolds with potential therapeutic benefits.

In addition to its synthetic utility, recent studies have investigated the biological properties of 2-Methyl-2-(4-nitrophenyl)propanenitrile. Preliminary in vitro assays suggest that this compound may exhibit moderate inhibitory activity against certain enzymes, making it a candidate for further optimization in drug development. However, detailed mechanistic studies and in vivo evaluations are still needed to fully understand its pharmacological potential and safety profile.

The chemical stability and reactivity of 2-Methyl-2-(4-nitrophenyl)propanenitrile have also been subjects of recent research. Advanced spectroscopic techniques, including NMR and mass spectrometry, have been employed to characterize its structure and behavior under various conditions. These studies have provided valuable insights into its potential applications in catalysis and material science, where its nitrile functionality could play a crucial role in forming coordination complexes or polymers.

Despite these promising findings, challenges remain in the practical application of 2-Methyl-2-(4-nitrophenyl)propanenitrile. Issues such as scalability, cost-effectiveness, and environmental impact of its synthesis need to be addressed to facilitate its broader adoption in industrial and pharmaceutical settings. Future research directions may include the development of greener synthetic routes and the exploration of its derivatives for enhanced biological activity.

In conclusion, 2-Methyl-2-(4-nitrophenyl)propanenitrile (CAS: 71825-51-9) represents a versatile and intriguing compound with potential applications across multiple scientific disciplines. Continued research efforts will be essential to unlock its full potential and translate laboratory findings into real-world solutions.

71825-51-9 (2-Methyl-2-(4-nitrophenyl)propanenitrile) Related Products

Recommended suppliers
Zhangzhou Sinobioway Peptide Co.,Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Zhangzhou Sinobioway Peptide Co.,Ltd.
Jiangsu Xinsu New Materials Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Jiangsu Xinsu New Materials Co., Ltd
Shandong Feiyang Chemical Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Shandong Feiyang Chemical Co., Ltd
Suzhou Senfeida Chemical Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Suzhou Senfeida Chemical Co., Ltd
Xiamen PinR Bio-tech Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Xiamen PinR Bio-tech Co., Ltd.