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7-Bromo-1,3-benzoxazol-2(3H)-one(CAS: 871367-14-5)

7-Bromo-1,3-benzoxazol-2(3H)-one
CAS Number

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Basic Information

Molecular Formula
C7H4BrNO2
Molecular Weight
214.02 g/mol

Chemical Identifiers

SMILES
Brc1cccc2[nH]c(=O)oc12
InChIKey
LHTQHBZJSVUNBG-UHFFFAOYSA-N

Database References

MDL Number
MFCD11111731

FAQ

7-Bromo-1,3-benzoxazol-2(3H)-one (CAS: 871367-14-5) is a white crystalline solid with a molecular weight of approximately 224.03 g/mol. It is slightly soluble in water but more soluble in organic solvents like acetonitrile. The compound is known for its moderate reactivity, particularly in nucleophilic substitution reactions. It has a pKa of about 7.5, indicating moderate basicity under physiological conditions.
7-Bromo-1,3-benzoxazol-2(3H)-one (CAS: 871367-14-5) is typically synthesized via the bromination of 1,3-benzoxazol-2(3H)-one followed by a halogenation step. Common methods include the use of bromine in the presence of a suitable base like sodium hydride. The reaction yields a high percentage of the desired brominated compound with good selectivity.
7-Bromo-1,3-benzoxazol-2(3H)-one (CAS: 871367-14-5) is primarily used in the pharmaceutical industry for the synthesis of bioactive compounds. It also has applications in the development of sensors, due to its ability to serve as a useful chromophore in various analytical methods. Additionally, it is explored in the field of organic electronics for its potential use in organic semiconductors.
When handling 7-Bromo-1,3-benzoxazol-2(3H)-one (CAS: 871367-14-5), it is important to use appropriate personal protective equipment (PPE) such as gloves, safety goggles, and a lab coat. Ensure the use of a fume hood to minimize inhalation risks. Spills should be cleaned up using appropriate absorbents and disposed of according to local regulations. Always consult the Safety Data Sheet (SDS) for detailed handling and disposal information.

Safety Notice

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