6-Bromo-5-methyl-2H-1,4-benzoxazin-3(4H)-one

Basic Information

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CAS Number

1154740-47-2

Molecular Formula

C9H8BrNO2

Molecular Weight

242.07 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

SMILES

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O=C1COc2c(N1)c(C)c(cc2)Br

InChI

InChI=1S/C9H8BrNO2/c1-5-6(10)2-3-7-9(5)11-8(12)4-13-7/h2-3H,4H2,1H3,(H,11,12)

InChIKey

KJWRSZMBXKQBKZ-UHFFFAOYSA-N

LogP

2.0884199999999997

Topological Polar Surface Area

38.33 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

222

Synonyms & References

English

6-bromo-5-methyl-2H-benzo[b][1,4]oxazin-3(4H)-one
2H-1,4-Benzoxazin-3(4H)-one, 6-bromo-5-methyl-
KJWRSZMBXKQBKZ-UHFFFAOYSA-N
SY100552
6-bromo-5-methyl-4H-benzo[1,4]oxazin-3-one
6-Bromo-5-methyl-2H-1,4-benzoxazin-3(4H)-one

MDL Number

MFCD20527815

FAQ

What is 6-Bromo-5-methyl-2H-1,4-benzoxazin-3(4H)-one (CAS: 1154740-47-2)?

6-Bromo-5-methyl-2H-1,4-benzoxazin-3(4H)-one (CAS: 1154740-47-2) is a heterocyclic compound with a benzoxazinone structure. It is characterized by its unique bromo and methyl substituents. The compound has a molecular formula of C12H10BrNO2 and exhibits properties such as stability under normal conditions but sensitivity to moisture and heat.

What are the main uses of 6-Bromo-5-methyl-2H-1,4-benzoxazin-3(4H)-one (CAS: 1154740-47-2)?

6-Bromo-5-methyl-2H-1,4-benzoxazin-3(4H)-one is primarily used in pharmaceutical research as a precursor or intermediate for the synthesis of bioactive compounds. It also finds applications in the development of agrochemicals and as a potential material in polymer chemistry.

Is 6-Bromo-5-methyl-2H-1,4-benzoxazin-3(4H)-one (CAS: 1154740-47-2) safe?

6-Bromo-5-methyl-2H-1,4-benzoxazin-3(4H)-one is considered safe under laboratory conditions when proper precautions are taken. However, it should be handled with care due to its sensitivity to moisture and heat. Protective measures include the use of gloves, goggles, and fume hoods during handling. It is non-toxic but may cause skin or eye irritation if not used properly.

How should 6-Bromo-5-methyl-2H-1,4-benzoxazin-3(4H)-one (CAS: 1154740-47-2) be stored?

6-Bromo-5-methyl-2H-1,4-benzoxazin-3(4H)-one should be stored in a cool, dry place away from direct sunlight and heat sources. It is recommended to store the compound in a tightly sealed container to prevent moisture absorption. Ideal storage conditions are at temperatures below 25°C and with relative humidity levels below 60% to maintain its stability.