4-Bromo-1,2-benzoxazole

Basic Information

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CAS Number

1126848-34-7

Molecular Formula

C7H4BrNO

Molecular Weight

198.02 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Boiling Point

276.1°C at 760 mmHg

Flash Point

120.8±19.8 ºC,

SMILES

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Brc1cccc2oncc12

InChI

InChI=1S/C7H4BrNO/c8-6-2-1-3-7-5(6)4-9-10-7/h1-4H

InChIKey

WPERWOJBMXTKKG-UHFFFAOYSA-N

LogP

2.5903

Topological Polar Surface Area

26.03 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

131

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H332 Harmful if inhaled
Acute toxicity, inhalation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

4-Bromobenzo[d]isoxazole
4-bromo-1,2-Benzisoxazole
4-bromo-1,2-benzoxazole
4-Bromo-benzo[d]isoxazole
RP25568
AB0034809
X9025
ST24028971
BB 0262100

MDL Number

MFCD09027766

Customs Code

2934999090

FAQ

What are the physical and chemical properties of 4-Bromo-1,2-benzoxazole (CAS: 1126848-34-7)?

4-Bromo-1,2-benzoxazole is a crystalline solid with a molecular weight of 226.01 g/mol. It has a melting point of 98-100°C. This compound is slightly soluble in water and more soluble in solvents like ethanol and acetone. It is reactive towards nucleophiles and exhibits good stability under acidic and basic conditions.

How is 4-Bromo-1,2-benzoxazole (CAS: 1126848-34-7) typically synthesized?

4-Bromo-1,2-benzoxazole can be synthesized via bromination of 1,2-benzoxazole using N-bromosuccinimide (NBS) in the presence of a radical initiator like benzoyl peroxide. This method provides high yield and good selectivity for the brominated product.

What industries use 4-Bromo-1,2-benzoxazole (CAS: 1126848-34-7)?

4-Bromo-1,2-benzoxazole finds applications in the pharmaceutical industry for the synthesis of certain drugs, as well as in the polymer industry for the modification of polymers. It is also used in the development of sensors and semiconductor materials due to its unique electronic properties.

What precautions should be taken when handling 4-Bromo-1,2-benzoxazole (CAS: 1126848-34-7)?

Proper personal protective equipment (PPE) such as gloves, goggles, and lab coat should be worn when handling 4-Bromo-1,2-benzoxazole. Work should be conducted in a well-ventilated area or a fume hood to minimize inhalation. Spills should be cleaned up using absorbent material, and proper disposal methods should be followed as per local regulations. Always refer to the Safety Data Sheet (SDS) for detailed handling instructions.