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Atomfair 6-Bromo-3-nitroquinolin-4(1H)-one C9H5BrN2O3 CAS 853908-50-6

6-Bromo-3-nitroquinolin-4(1H)-one (CAS No. 853908-50-6) is a high-purity heterocyclic organic compound with the molecular formula C9H5BrN2O3. This quinoline derivative features a bromo substituent at the 6-position and a nitro group at the 3-position, making it a valuable intermediate in pharmaceutical and agrochemical research. Its IUPAC name is 6-bromo-3-nitro-1H-quinolin-4-one . This compound is supplied as a fine powder with ≥95% purity (HPLC), ensuring consistency for synthetic applications. Ideal for use in cross-coupling reactions, nucleophilic substitutions, and as a scaffold for bioactive molecule development. Store in a cool, dry place under inert conditions to maintain stability.

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Description

6-Bromo-3-nitroquinolin-4(1H)-one (CAS No. 853908-50-6) is a high-purity heterocyclic organic compound with the molecular formula C9H5BrN2O3. This quinoline derivative features a bromo substituent at the 6-position and a nitro group at the 3-position, making it a valuable intermediate in pharmaceutical and agrochemical research. Its IUPAC name is 6-bromo-3-nitro-1H-quinolin-4-one. This compound is supplied as a fine powder with ≥95% purity (HPLC), ensuring consistency for synthetic applications. Ideal for use in cross-coupling reactions, nucleophilic substitutions, and as a scaffold for bioactive molecule development. Store in a cool, dry place under inert conditions to maintain stability.

Properties

  • CAS Number: 853908-50-6
  • Complexity: 337
  • IUPAC Name: 6-bromo-3-nitro-1H-quinolin-4-one
  • InChI: InChI=1S/C9H5BrN2O3/c10-5-1-2-7-6(3-5)9(13)8(4-11-7)12(14)15/h1-4H,(H,11,13)
  • InChI Key: AMKJVYOALDEARM-UHFFFAOYSA-N
  • Exact Mass: 267.94835
  • Molecular Formula: C9H5BrN2O3
  • Molecular Weight: 269.05
  • SMILES: C1=CC2=C(C=C1Br)C(=O)C(=CN2)[N+](=O)[O-]
  • Topological: 74.9
  • Monoisotopic Mass: 267.94835
  • Synonyms: 853908-50-6, 6-bromo-3-nitroquinolin-4(1H)-one, DTXSID10650671, DTXCID10601421, 6-Bromo-3-nitro-4-quinolinol, 6-bromo-3-nitroquinolin-4-ol, 6-Bromo-4-hydroxy-3-nitroquinoline, 6-bromo-3-nitro-quinolin-4-ol, 4-Quinolinol, 6-bromo-3-nitro-, 6-bromo-3-nitro-1H-quinolin-4-one, MFCD09800413, 1429502-75-9, SCHEMBL358629, SCHEMBL17598434, SCHEMBL28468025, AMKJVYOALDEARM-UHFFFAOYSA-N, ALBB-037952, BCP06521, CS-B0352, EX-A1412, AKOS005259541, AC-4430, DS-0915, PB14737, SY004114, DB-003556, EN300-128669, Z1509662836

Application

6-Bromo-3-nitroquinolin-4(1H)-one is widely used as a key intermediate in medicinal chemistry for the synthesis of quinoline-based drug candidates. Its reactive bromo and nitro groups enable facile functionalization via Suzuki-Miyaura or Buchwald-Hartwig couplings. Researchers employ this compound in the development of antimicrobial and anticancer agents due to the quinoline core’s bioactive properties. It also serves as a precursor for fluorescent dyes and coordination chemistry ligands.

Safety and Hazards

GHS Hazard Statements

  • H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
  • H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
  • H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

  • P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

  • Skin Irrit. 2 (100%)
  • Eye Irrit. 2A (100%)
  • STOT SE 3 (100%)

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Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.

Disclaimer

Intended Use & Restrictions

This product is sold exclusively for laboratory research, analytical testing, or non-commercial purposes.

  • Strictly prohibited: Resale, repackaging, or formulation into commercial products.
  • Not approved for human/animal use, diagnostics, or manufacturing (including pharmaceuticals, agrochemicals, or consumer goods).

Patent & Regulatory Compliance

Certain molecules may be protected by active patents or regulatory restrictions.

  • Buyers must independently verify patent status (e.g., via USPTO/EPO/CNIPA) and comply with local laws.
  • Atomfair LLC does not provide legal assurances regarding patent non-infringement or jurisdictional compliance.

Liability Release

By purchasing, the buyer agrees to:

  • Use this product only as permitted by law.
  • Indemnify Atomfair LLC against all claims arising from misuse, patent infringement, or regulatory violations.

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