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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)-

Benzoxazole, 4-bromo-

Brc1cccc2c1nco2 Request for Quotation
Chemical Name: Benzoxazole, 4-bromo-
CAS Number: 217326-65-3
Product Number: AG006ZX8(AGN-PC-03ET0L)
Synonyms:
MDL No:
Molecular Formula: C7H4BrNO
Molecular Weight: 198.0168

Identification/Properties

Computed Properties
Molecular Weight:
198.019g/mol
XLogP3:
2.5
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
0
Exact Mass:
196.948g/mol
Monoisotopic Mass:
196.948g/mol
Topological Polar Surface Area:
26A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
131
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-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum

Other Analytical Data

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Chemical Structure


4-Bromobenzo[d]oxazole is a versatile building block in chemical synthesis due to its unique structural properties and reactivity. This compound is commonly used in the preparation of various pharmaceuticals, agrochemicals, and materials. In organic synthesis, 4-Bromobenzo[d]oxazole serves as a valuable precursor for the introduction of functional groups through substitution, addition, or coupling reactions. Its bromine group provides a handle for further derivatization to tailor the molecule's properties for specific applications. Additionally, the oxazole ring system offers potential for diverse chemical transformations, making it a valuable tool for creating complex molecular structures. In summary, 4-Bromobenzo[d]oxazole plays a crucial role in the development of novel compounds with potential applications in drug discovery, materials science, and other fields.