4-Bromoisoxazole

Basic Information

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CAS Number

97925-43-4

Molecular Formula

C3H2BrNO

Molecular Weight

147.96 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Agricultural Chemicals Pesticides Herbicides

Water Treatment Chemicals Disinfectants Chlorine Compounds

Basic Physical Properties

Melting Point

38-43 °C

Boiling Point

182.7°C at 760 mmHg

SMILES

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C1=C(C=NO1)Br

InChI

InChI=1S/C3H2BrNO/c4-3-1-5-6-2-3/h1-2H

InChIKey

IRDVIGFQMLUJAM-UHFFFAOYSA-N

LogP

1.4370999999999998

Topological Polar Surface Area

26.03 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

50.1

Safety Information

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GHS Hazard Pictograms

H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Synonyms & References

English

4-Bromoisoxazole
4-BORMOISOXAZOLE
4-bromo-1,2-oxazole
4-Bromoisoxazole (ACI)
4-Bromo-1,2-oxazole
4-Bromo-isoxazole
W-204164
97925-43-4
4-bromanyl-1,2-oxazole
EN300-97581
AKOS005257550
STL555034
SY008721
AB11359
4-Bromoisoxazole, 95%
BBL101238
DTXSID50397518
IRDVIGFQMLUJAM-UHFFFAOYSA-N
DB-011312
PS-5968
SCHEMBL438299
ISOXAZOLE, 4-BROMO-
7ZX
CS-W018197
MFCD02179569

MDL Number

MFCD02179569

Customs Code

2934999090

FAQ

What are the physical and chemical properties of 4-Bromoisoxazole (CAS: 97925-43-4)?

4-Bromoisoxazole (CAS: 97925-43-4) is a crystalline solid with a molecular weight of approximately 182.02 g/mol. It has a low solubility in water but is more soluble in organic solvents like ethanol and dichloromethane. Chemically, it shows moderate reactivity towards nucleophiles and can undergo substitution reactions. It also has applications in pharmaceuticals and organic synthesis.

How is 4-Bromoisoxazole (CAS: 97925-43-4) typically synthesized?

4-Bromoisoxazole is typically synthesized by bromination of isoxazole. This can be achieved through direct bromination using bromine in the presence of a Lewis acid like aluminum bromide or through a nucleophilic substitution reaction using bromine and an appropriate base such as sodium hydroxide in an organic solvent. The yield and selectivity depend on the reaction conditions and catalysts used.

What industries use 4-Bromoisoxazole (CAS: 97925-43-4)?

4-Bromoisoxazole (CAS: 97925-43-4) is primarily used in the pharmaceutical industry for the synthesis of various medicinal compounds. It also finds applications in the polymer industry for modifying polymer properties and in the sensor technology for detecting specific compounds. Additionally, it is used in the semiconductor industry for certain photolithographic processes.

What precautions should be taken when handling 4-Bromoisoxazole (CAS: 97925-43-4)?

When handling 4-Bromoisoxazole (CAS: 97925-43-4), it is essential to wear personal protective equipment (PPE) including gloves, goggles, and a lab coat. Ensure proper ventilation in the laboratory and use a fume hood to minimize exposure. Spills should be cleaned up using appropriate absorbents and disposing of them according to local regulations. Refer to the Safety Data Sheet (SDS) for detailed handling and disposal information.