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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-Bromo-6-chloro-1H-pyrazolo[3,4-d]pyrimidine

Clc1ncc2c(n1)[nH]nc2Br Request for Quotation
Chemical Name: 3-Bromo-6-chloro-1H-pyrazolo[3,4-d]pyrimidine
CAS Number: 944903-06-4
Product Number: AG006AB0(AGN-PC-0WAI66)
Synonyms:
MDL No:
Molecular Formula: C5H2BrClN4
Molecular Weight: 233.4532

Identification/Properties

Properties
MP:
>189°C (dec.)
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
233.453g/mol
XLogP3:
2.2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
0
Exact Mass:
231.915g/mol
Monoisotopic Mass:
231.915g/mol
Topological Polar Surface Area:
54.5A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
157
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
Precautionary Statements:
P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum

Other Analytical Data

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Chemical Structure


3-Bromo-6-chloro-1H-pyrazolo[3,4-d]pyrimidine, a versatile building block in chemical synthesis, plays a crucial role in the development of various pharmaceuticals, agrochemicals, and advanced materials. Its unique structural properties make it a valuable intermediate for the synthesis of complex compounds and heterocyclic derivatives. Specifically, in chemical synthesis, this compound is utilized as a key reagent for the construction of biologically active molecules, such as kinase inhibitors, antiviral agents, and inhibitors of protein-protein interactions. Additionally, its presence in the synthesis of functional materials enhances the structure-property relationships, enabling the design of novel materials with tailored properties for specific applications.