2-Propenenitrile, 3,3-diphenyl-


Chemical Name: 2-Propenenitrile, 3,3-diphenyl-
CAS Number: 3531-24-6
Product Number: AG00CAER(AGN-PC-0JO4SC)
Synonyms:
MDL No:
Molecular Formula: C15H11N
Molecular Weight: 205.2545

Identification/Properties


Properties
MP:
43.0 to 47.0 °C
BP:
341.9°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
205.26g/mol
XLogP3:
4
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
2
Exact Mass:
205.089g/mol
Monoisotopic Mass:
205.089g/mol
Topological Polar Surface Area:
23.8A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
262
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302+H312+H332-H315-H319-H335
Precautionary Statements:
P261-P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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Chemical Structure



3,3-Diphenylacrylonitrile, also known as 1,1-Diacetylbenzene, is a versatile compound that finds widespread application in chemical synthesis. This molecule serves as a valuable building block for the preparation of various organic compounds due to its unique chemical properties.One of the primary applications of 3,3-Diphenylacrylonitrile is in the synthesis of pharmaceutical intermediates. Its structure allows for the introduction of various functional groups, making it a crucial starting material for the preparation of complex molecules used in the pharmaceutical industry. This compound plays a key role in the development of new drugs and therapeutic agents.Additionally, 3,3-Diphenylacrylonitrile is extensively used in the production of specialty polymers. By utilizing this compound as a monomer in polymerization reactions, researchers can tailor the properties of the resulting polymers to meet specific application requirements. This versatility makes 3,3-Diphenylacrylonitrile an essential component in the creation of high-performance materials for various industries.Furthermore, this compound is employed in the synthesis of organic dyes and pigments. The conjugated structure of 3,3-Diphenylacrylonitrile lends itself well to the formation of vibrant and stable colorants used in textiles, plastics, and other products. Its chemical reactivity allows for the modification of the chromophore to achieve a wide range of colors and hues.Overall, the application of 3,3-Diphenylacrylonitrile in chemical synthesis spans across various fields, including pharmaceuticals, polymers, and pigments. Its versatility and reactivity make it a valuable tool for chemists and researchers seeking to create novel compounds with tailored properties for specific applications.