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2-Bromo-4′-nitroacetophenone

CAS 99-81-0O2NC6H4COCH2BrChemical Synthesis

2-Bromo-4′-nitroacetophenone (CAS: 99-81-0) is a chemical compound with the molecular formula O₂NC₆H₄COCH₂Br and a molecular weight of 244.04 g/mol. This organic building block serves as a valuable alkylating agent in chemical synthesis. It is particularly noted for its use in studies involving the inhibition of cytochrome P450 isozymes, making it a useful reagent in biochemical research and drug metabolism studies.

IUPAC
ω-Bromo-4-nitroacetophenone,4-Nitrophenacyl bromide
Synonyms
4-Nitrophenacyl bromideω-Bromo-4-nitroacetophenone
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2-Bromo-4′-nitroacetophenone (O2NC6H4COCH2Br) — chemical structure, CAS 99-81-0; Chemistry, fine chemical supplied by Tech Serve Solutions
Bioactive Small MoleculesBuilding BlocksC7 to C8Carbonyl CompoundsCell BiologyChemical SynthesisKetones
01 /Applications

Biochemical Research Reagent

Utilised as an alkylating agent, 2-Bromo-4′-nitroacetophenone has been employed to investigate the mechanisms of cytochrome P450 enzymes. Its ability to bind to specific isozymes aids in understanding enzyme activity and drug metabolism pathways.

Organic Synthesis Building Block

This compound functions as a key intermediate in the synthesis of more complex organic molecules. Its reactive bromo-ketone structure allows for diverse chemical transformations and the construction of various chemical scaffolds.

Drug Discovery and Development

As a bioactive small molecule, it can be used in the early stages of drug discovery to explore potential therapeutic targets. Its role in P450 research is relevant for understanding drug-drug interactions and drug efficacy.

02 /Properties
Molecular weight244.04
Linear formulaO2NC6H4COCH2Br
Assay95%
Gradetechnical
Application2-Bromo-4′-nitroacetophenone was used as an alkylating agent, binding 10 isozymes of purified rat liver microsomal cytochrome P-4501.
Melting point94-99 °C(lit.)
03 /Safety & handling
GHS hazard pictogram: Corrosive (GHS05)
Corrosive
Danger

Hazard statements

  • H314Causes severe skin burns and eye damage

Precautionary statements

  • P280Wear protective gloves, clothing and eye/face protection
  • P305IF IN EYES
  • P310Immediately call a POISON CENTER or doctor
Protective equipmentEyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
Transport (UN / ADR)UN 3261 8 / PGII
Water hazard class (WGK, DE)3
Hazard codes (EU)C
Risk statements (R)34-37
Safety statements (S)26-36/37/39-45

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

04 /Identifiers & registry
CAS number
99-81-0
MDL number
MFCD00007356
PubChem substance
24850593
Beilstein registry
393567
05 /Additional specifications
Gene Informationhuman ... PTPN6(5777)
06 /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.

07 /Frequently asked questions

What is 2-Bromo-4′-nitroacetophenone used for?

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2-Bromo-4′-nitroacetophenone is primarily used as an alkylating agent in chemical synthesis and biochemical research, notably in studies involving cytochrome P450 isozymes.

What is the CAS number and molecular formula for 2-Bromo-4′-nitroacetophenone?

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The CAS number is 99-81-0, and the molecular formula is O₂NC₆H₄COCH₂Br.

What grade and purity does Tech Serve Solutions supply?

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Tech Serve Solutions supplies 2-Bromo-4′-nitroacetophenone at a technical grade with an assay of 95%. This product is not represented as USP, BP, or EP grade.

What are the safety and handling precautions for 2-Bromo-4′-nitroacetophenone?

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This compound is classified as Danger, with hazard statement H314 (Causes severe skin burns and eye damage). Recommended personal protective equipment includes eyeshields, faceshields, gloves, and appropriate respiratory protection. Handle with extreme caution in a well-ventilated area.

How is 2-Bromo-4′-nitroacetophenone packed, shipped, or exported?

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2-Bromo-4′-nitroacetophenone is shipped according to UN 3261, Class 8, Packing Group II regulations. TSS adheres to all international shipping and export compliance standards.

How can I request a sample or quote for 2-Bromo-4′-nitroacetophenone?

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To request a sample or a quotation, please contact our sales team through the website or by phone, providing your specific requirements and delivery details.

Need 2-Bromo-4′-nitroacetophenone in a specific grade or volume?