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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)-

Benzonitrile, 4-[(4-chloro-2-pyrimidinyl)amino]-

N#Cc1ccc(cc1)Nc1nccc(n1)Cl Request for Quotation
Chemical Name: Benzonitrile, 4-[(4-chloro-2-pyrimidinyl)amino]-
CAS Number: 244768-32-9
Product Number: AG002O9X(AGN-PC-0NHGWB)
Synonyms:
MDL No:
Molecular Formula: C11H7ClN4
Molecular Weight: 230.6531

Identification/Properties

Properties
MP:
210℃ (dec.)
BP:
441°C at 760 mmHg
Storage:
Inert atmosphere;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
230.655g/mol
XLogP3:
2.8
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
230.036g/mol
Monoisotopic Mass:
230.036g/mol
Topological Polar Surface Area:
61.6A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
266
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#:
-
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum

Other Analytical Data

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Chemical Structure


The 4-((4-Chloropyrimidin-2-yl)amino)benzonitrile is a versatile compound commonly used in chemical synthesis as a building block in the production of various pharmaceuticals, agrochemicals, and fine chemicals. Its unique chemical structure allows for efficient incorporation into a wide range of organic molecules, making it a valuable tool for synthetic chemists. The presence of both an amino and nitrile group in the molecule offers multiple avenues for functionalization, enabling the synthesis of diverse derivatives with desired properties. When utilized in reactions such as nucleophilic substitution, transition metal-catalyzed coupling, or heterocycle formation, this compound serves as a key intermediate in the preparation of complex molecules with potential biological or industrial significance. Its application in drug discovery, material science, and other research fields highlights its importance as a foundational component in modern chemical synthesis strategies.