2(3H)-Benzoxazolone, 6-bromo-


Chemical Name: 2(3H)-Benzoxazolone, 6-bromo-
CAS Number: 19932-85-5
Product Number: AG002C2K(AGN-PC-0JKKZQ)
Synonyms:
MDL No:
Molecular Formula: C7H4BrNO2
Molecular Weight: 214.0162

Identification/Properties


Properties
MP:
192-196 °C
BP:
-2.6°C (rough estimate)
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Refractive Index:
1.6120 (estimate)
Computed Properties
Molecular Weight:
214.018g/mol
XLogP3:
1.9
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
0
Exact Mass:
212.943g/mol
Monoisotopic Mass:
212.943g/mol
Topological Polar Surface Area:
38.3A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
185
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-H319
Precautionary Statements:
P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


Request for Quotation


Customer Feedback


Chemical Structure



6-Bromo-2(3H)-benzoxazolone is a versatile compound that finds wide application in chemical synthesis. As a key building block in organic chemistry, it serves as a valuable intermediate in the preparation of various pharmaceuticals, agrochemicals, and fine chemicals. Its unique structure and reactivity make it a preferred choice for the synthesis of complex molecules with diverse functionalities. Specifically, 6-Bromo-2(3H)-benzoxazolone is utilized in the construction of heterocyclic compounds, which are important structural motifs in drug discovery and materials science. Through strategic functionalization and derivatization, this compound enables chemists to access a wide range of novel compounds with potential biological activities or tailored properties. Its incorporation into synthetic routes allows for the efficient and selective formation of carbon-carbon and carbon-heteroatom bonds, making it a valuable tool for the creation of structurally complex molecules of high synthetic value.