Cas no 4553-59-7 (2-phenyl-2-(phenylamino)acetonitrile)

2-phenyl-2-(phenylamino)acetonitrile structure
4553-59-7 structure
Product Name:2-phenyl-2-(phenylamino)acetonitrile
CAS No:4553-59-7
MF:C14H12N2
MW:208.258482933044
MDL:MFCD00019793
CID:330684
PubChem ID:345685
Update Time:2025-04-26

2-phenyl-2-(phenylamino)acetonitrile Chemical and Physical Properties

Names and Identifiers

    • Benzeneacetonitrile, a-(phenylamino)-
    • 2-anilino-2-phenylacetonitrile
    • PHENYL(PHENYLAMINO)ACETONITRILE
    • PHENYL-PHENYLAMINO-ACETONITRILE
    • 1-phenyl-1-(N-phenylamino)acetonitrile
    • 2-(N-anilino)-2-phenylacetonitrile
    • 2-phenyl-2-phenylaminoacetonitrile
    • Acetonitrile,anilinophenyl
    • Glycinonitrile,2-diphenyl
    • DTXSID80323244
    • 2-anilino-2-phenyl acetonitrile
    • Benzeneacetonitrile, .alpha.-(phenylamino)-
    • 4553-59-7
    • BB 0258816
    • 2-phenyl-2-(phenylamino)acetonitrile
    • NSC-403420
    • CHEMBL3116077
    • N,2-DIPHENYLGLYCINONITRILE
    • Glycinonitrile, N,2-diphenyl-
    • Anilino(phenyl)acetonitrile
    • SCHEMBL8971940
    • Anilino(phenyl)acetonitrile #
    • Glycinonitrile,2-diphenyl-
    • MFCD00019793
    • NSC406219
    • NSC-406219
    • Acetonitrile, anilinophenyl-
    • .alpha.-Anilinophenylacetonitrile
    • XOMUKMGWTCEDRE-UHFFFAOYSA-N
    • AKOS004906930
    • NSC403420
    • FT-0635360
    • PS-11153
    • DB-051316
    • STL554444
    • BBL100650
    • MDL: MFCD00019793
    • Inchi: 1S/C14H12N2/c15-11-14(12-7-3-1-4-8-12)16-13-9-5-2-6-10-13/h1-10,14,16H
    • InChI Key: XOMUKMGWTCEDRE-UHFFFAOYSA-N
    • SMILES: N(C1C=CC=CC=1)C(C#N)C1C=CC=CC=1

Computed Properties

  • Exact Mass: 208.10000
  • Monoisotopic Mass: 208.1
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 3
  • Complexity: 241
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.4
  • Topological Polar Surface Area: 35.8?2

Experimental Properties

  • Density: 1.155
  • Boiling Point: 369.7°Cat760mmHg
  • Flash Point: 177.4°C
  • Refractive Index: 1.639
  • PSA: 35.82000
  • LogP: 3.43638

2-phenyl-2-(phenylamino)acetonitrile Security Information

  • Hazardous Material Identification: T

2-phenyl-2-(phenylamino)acetonitrile 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%

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2-phenyl-2-(phenylamino)acetonitrile Production Method

Production Method 1

Reaction Conditions
1.1 Catalysts: p-Toluenesulfonic acid Solvents: Ethanol ,  Dichloromethane ;  1 h, rt
Reference
Trityl Isocyanide as a Mechanistic Probe in Multicomponent Chemistry: Walking the Line between Ugi- and Strecker-type Reactions
Cioc, Razvan C.; Preschel, Hans D.; van der Heijden, Gydo; Ruijter, Eelco ; Orru, Romano V. A., Chemistry - A European Journal, 2016, 22(23), 7837-7842

2-phenyl-2-(phenylamino)acetonitrile Raw materials

2-phenyl-2-(phenylamino)acetonitrile Preparation Products

2-phenyl-2-(phenylamino)acetonitrile Suppliers

Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
(CAS:4553-59-7)2-phenyl-2-(phenylamino)acetonitrile
Order Number:A1161235
Stock Status:in Stock
Quantity:2g/10g
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 00:05
Price ($):899.0/1680.0

Additional information on 2-phenyl-2-(phenylamino)acetonitrile

Benzeneacetonitrile, a-(Phenylamino)- (CAS No. 4553-59-7): An Overview and Recent Advances

Benzeneacetonitrile, a-(phenylamino)- (CAS No. 4553-59-7) is a versatile organic compound that has garnered significant attention in the fields of chemistry, pharmaceuticals, and materials science. This compound, also known as N-Phenylbenzamide, is characterized by its unique molecular structure, which includes a benzene ring, a nitrile group, and an amino group. These functional groups contribute to its diverse chemical properties and potential applications.

The chemical formula of Benzeneacetonitrile, a-(phenylamino)- is C13H11N2, and it has a molecular weight of approximately 197.23 g/mol. The compound is typically synthesized through the reaction of benzeneacetonitrile with aniline in the presence of a suitable catalyst. This synthesis method is well-documented in the literature and has been optimized for high yield and purity.

Recent research has highlighted the potential of Benzeneacetonitrile, a-(phenylamino)- in various applications. One notable area of interest is its use as an intermediate in the synthesis of pharmaceuticals. The compound's ability to undergo selective functionalization reactions makes it a valuable starting material for the production of complex molecules with therapeutic properties. For instance, studies have shown that derivatives of Benzeneacetonitrile, a-(phenylamino)- can be used to develop novel drugs for the treatment of neurological disorders and cancer.

In the field of materials science, Benzeneacetonitrile, a-(phenylamino)- has been explored for its potential in the development of organic semiconductors and photovoltaic materials. The presence of the nitrile and amino groups imparts unique electronic properties to the molecule, making it suitable for use in organic electronic devices. Recent advancements in this area have demonstrated that Benzeneacetonitrile, a-(phenylamino)- can be incorporated into polymer matrices to enhance their conductivity and stability.

The physical properties of Benzeneacetonitrile, a-(phenylamino)- are also noteworthy. It is a white crystalline solid at room temperature with a melting point ranging from 108 to 110°C. The compound is soluble in common organic solvents such as ethanol, acetone, and dichloromethane but has limited solubility in water. These solubility characteristics make it amenable to various synthetic procedures and purification techniques.

In terms of safety and handling, Benzeneacetonitrile, a-(phenylamino)- should be stored in a cool, dry place away from incompatible materials such as strong oxidizers and acids. Proper personal protective equipment (PPE) should be used when handling the compound to minimize exposure risks. While it is not classified as hazardous under current regulations, it is important to follow standard laboratory safety protocols when working with this compound.

The environmental impact of Benzeneacetonitrile, a-(phenylamino)- has also been studied. Research indicates that the compound has low toxicity to aquatic organisms and does not bioaccumulate significantly in the environment. However, it is recommended to dispose of any waste containing Benzeneacetonitrile, a-(phenylamino)- according to local environmental regulations to prevent potential contamination.

In conclusion, Benzeneacetonitrile, a-(phenylamino)- (CAS No. 4553-59-7) is a multifunctional compound with promising applications in pharmaceuticals and materials science. Its unique chemical structure and properties make it an attractive candidate for further research and development. As new synthetic methods and applications continue to emerge, the importance of Benzeneacetonitrile, a-(phenylamino)- in various scientific fields is likely to grow.

Recommended suppliers
Amadis Chemical Company Limited
(CAS:4553-59-7)2-phenyl-2-(phenylamino)acetonitrile
A1161235
Purity:99%/99%
Quantity:2g/10g
Price ($):899.0/1680.0
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