4-(Bromoacetyl)-5-methyl-3-phenylisoxazole

CAS 104777-39-1C12H10BrNO2Chemical Synthesis

4-(Bromoacetyl)-5-methyl-3-phenylisoxazole (CAS: 104777-39-1) is a valuable heterocyclic organic compound with the molecular formula C12H10BrNO2 and a molecular weight of 280.12 g/mol. Characterised by its isoxazole core functionalised with a bromoacetyl group, it serves as a key building block in organic synthesis. Its primary utility lies in the construction of more complex molecular architectures for research and development purposes.

IUPAC: 2-Bromo-1-(5-methyl-3-phenylisoxazol-4-yl)ethanone
Synonyms: 2-Bromo-1-(5-methyl-3-phenylisoxazol-4-yl)ethanone

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4-(Bromoacetyl)-5-methyl-3-phenylisoxazole (C12H10BrNO2) — chemical structure, CAS 104777-39-1; Chemistry, fine chemical supplied by Tech Serve Solutions

Building BlocksChemical SynthesisHeterocyclic Building BlocksIsoxazoles

01 /Applications

Organic Synthesis Intermediate

This compound is employed as a versatile intermediate in the synthesis of novel organic molecules. The reactive bromoacetyl group allows for facile derivatisation, enabling the formation of new carbon-carbon and carbon-heteroatom bonds.

Heterocyclic Chemistry Research

It is used in academic and industrial research settings for exploring new synthetic methodologies and developing compounds with potential biological activities, leveraging its unique isoxazole scaffold.

Pharmaceutical Building Block

As a specialised building block, 4-(Bromoacetyl)-5-methyl-3-phenylisoxazole may contribute to the synthesis of potential drug candidates and pharmaceutical agents, where the isoxazole motif is of interest.

02 /Properties

Molecular weight	280.12
Empirical formula	C12H10BrNO2
Assay	97%
Melting point	46-50 °C

03 /Safety & handling

GHS hazard pictogram: Harmful / irritant (GHS07) — Harmful / irritant

Warning

Hazard statements

H302Harmful if swallowed

Protective equipment	dust mask type N95 (US), Eyeshields, Faceshields, Gloves
Flash point	>110 °C / >230 °F
Water hazard class (WGK, DE)	3
Hazard codes (EU)	Xn
Risk statements (R)	22

Hazard information is provided for guidance. Always consult the product Safety Data Sheet (SDS), available on request, before handling.

04 /Identifiers & registry

CAS number

104777-39-1

05 /Quality & supply

Documentation

Every batch ships with a Certificate of Analysis covering assay, identity and purity; the grade is confirmed against your enquiry. Safety Data Sheets and technical data sheets are available on request.

Supply & logistics

Samples for technical evaluation; bulk MOQ by grade and packaging. In-stock material ships in 7–10 working days, worldwide, with full export documentation.

06 /Frequently asked questions

What is 4-(Bromoacetyl)-5-methyl-3-phenylisoxazole used for?

4-(Bromoacetyl)-5-methyl-3-phenylisoxazole is primarily used as a building block and intermediate in organic synthesis and heterocyclic chemistry research, potentially in the development of pharmaceutical agents.

What is the CAS number and molecular formula for this compound?

The CAS number is 104777-39-1, and the empirical formula (Hill notation) is C12H10BrNO2.

What grade and purity does Tech Serve Solutions supply?

Tech Serve Solutions supplies this chemical with an assay of 97%. We do not represent this product as USP, BP, EP, or any pharmacopoeia grade.

How should 4-(Bromoacetyl)-5-methyl-3-phenylisoxazole be handled?

This compound is classified as harmful if swallowed (H302) and requires appropriate personal protective equipment, including a dust mask (type N95 or equivalent), eyeshields, face shield, and gloves. Handle with care to avoid ingestion and dust formation.

Is this chemical controlled or scheduled?

The provided data does not indicate that this chemical is a controlled or scheduled substance.

How is this product packed and exported?

Tech Serve Solutions is a specialist global supplier and exporter of fine chemicals, handling packaging and export in compliance with relevant regulations.