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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)-

2,1,3-Benzoxadiazole, 5-bromo-

Brc1ccc2c(c1)non2 Request for Quotation
Chemical Name: 2,1,3-Benzoxadiazole, 5-bromo-
CAS Number: 51376-06-8
Product Number: AG00DE0V(AGN-PC-0KKXFJ)
Synonyms:
MDL No:
Molecular Formula: C6H3BrN2O
Molecular Weight: 199.0048

Identification/Properties

Properties
MP:
72 °C
Storage:
Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
199.007g/mol
XLogP3:
1.9
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
0
Exact Mass:
197.943g/mol
Monoisotopic Mass:
197.943g/mol
Topological Polar Surface Area:
38.9A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
133
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:
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


2,1,3-Benzoxadiazole, 5-bromo- is a versatile building block commonly used in chemical synthesis for creating novel compounds with diverse properties. This compound serves as a valuable precursor in the production of a variety of organic molecules, including pharmaceuticals, agrochemicals, and materials science applications. Its unique molecular structure enables it to participate in a wide range of reactions, leading to the formation of complex and functionalized compounds. Researchers often utilize 2,1,3-Benzoxadiazole, 5-bromo- as a key intermediate in the synthesis of heterocyclic compounds, fluorescent probes, and advanced materials due to its reactivity and ability to introduce specific functionalities into target molecules. Its incorporation in synthetic pathways enables the development of new compounds with potential applications in various fields, highlighting its significance in modern organic chemistry research.