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Brc1cnc(nc1)C
Pyrimidine, 5-bromo-2-methyl-
CCCP1(=O)OP(=O)(CCC)OP(=O)(O1)CCC
1,3,5,2,4,6-Trioxatriphosphorinane, 2,4,6-tripropyl-, 2,4,6-trioxide
CC1(C)OB(OC1(C)C)B1OC(C(O1)(C)C)(C)C
2,2'-Bi-1,3,2-dioxaborolane, 4,4,4',4',5,5,5',5'-octamethyl-
O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.[Pd].[Pd]
Tris(dibenzylideneacetone)dipalladium
C1CCC(CC1)P(C1CCCCC1)C1CCCCC1.Cc1cc(C)c(c(c1)C)N1CCN(C1=[Ru](=Cc1ccccc1)(Cl)Cl)c1c(C)cc(cc1C)C
Ruthenium,[1,3-bis(2,4,6-trimethylphenyl)-2-imidazolidinylidene]dichloro(phenylmethylene)(tricyclohexylphosphine)-, (SP-5-41)-

3-(2-phenylimidazol-1-yl)propanenitrile

N#CCCn1ccnc1c1ccccc1 Request for Quotation
Chemical Name: 3-(2-phenylimidazol-1-yl)propanenitrile
CAS Number: 23996-12-5
Product Number: AG003I1C(AGN-PC-0JLYKW)
Synonyms:
MDL No:
Molecular Formula: C12H11N3
Molecular Weight: 197.2358

Identification/Properties

Properties
MP:
99.5-101.5°C
BP:
418.3°C at 760 mmHg
Storage:
2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
197.241g/mol
XLogP3:
1.3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
3
Exact Mass:
197.095g/mol
Monoisotopic Mass:
197.095g/mol
Topological Polar Surface Area:
41.6A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
237
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-H315-H319
Precautionary Statements:
P264-P270-P280-P301+P312+P330-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P501
Class:
N/A
Packing Group:
N/A

NMR Spectrum

Other Analytical Data

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Chemical Structure


3-(2-Phenyl-1-imidazolyl)propanenitrile, also known as $name$, is a versatile compound widely used in chemical synthesis. This compound is particularly valued for its role as a key intermediate in the synthesis of various pharmaceutically important molecules. Its unique structure, featuring a phenyl-imidazolyl group coupled with a nitrile functional group, imparts specific reactivity that makes it a valuable building block in organic synthesis.One notable application of 3-(2-Phenyl-1-imidazolyl)propanenitrile is its use in the preparation of heterocyclic compounds, such as benzimidazoles and imidazolopyridines, which are commonly found in pharmaceuticals and agrochemicals. By serving as a precursor in the synthesis of these complex structures, this compound enables the production of diverse chemical entities with desirable biological activities.Furthermore, 3-(2-Phenyl-1-imidazolyl)propanenitrile is employed in the development of novel materials with specific properties, such as liquid crystals and fluorescent dyes. Its ability to undergo various transformations through chemical reactions allows for the tailoring of its structure to achieve desired characteristics in the final products.Overall, the versatile nature of 3-(2-Phenyl-1-imidazolyl)propanenitrile makes it an indispensable component in chemical synthesis, serving as a valuable tool for the creation of diverse organic molecules with applications in pharmaceuticals, materials science, and other fields.