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Atomfair 2-Amino-5-bromo-3-methoxybenzonitrile C8H7BrN2O CAS 176718-54-0

2-Amino-5-bromo-3-methoxybenzonitrile (CAS No. 176718-54-0) is a high-purity organic compound with the molecular formula C8H7BrN2O. This aromatic nitrile derivative features an amino group at the 2-position, a bromo substituent at the 5-position, and a methoxy group at the 3-position, making it a versatile intermediate for pharmaceutical and agrochemical synthesis. With a molecular weight of 227.06 g/mol, this compound is supplied as a crystalline solid with exceptional purity (>98%) to ensure consistent performance in research and industrial applications. Ideal for cross-coupling reactions, heterocycle formation, and as a precursor for biologically active molecules, it is rigorously tested via HPLC, NMR, and MS to…

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Description

2-Amino-5-bromo-3-methoxybenzonitrile (CAS No. 176718-54-0) is a high-purity organic compound with the molecular formula C8H7BrN2O. This aromatic nitrile derivative features an amino group at the 2-position, a bromo substituent at the 5-position, and a methoxy group at the 3-position, making it a versatile intermediate for pharmaceutical and agrochemical synthesis. With a molecular weight of 227.06 g/mol, this compound is supplied as a crystalline solid with exceptional purity (>98%) to ensure consistent performance in research and industrial applications. Ideal for cross-coupling reactions, heterocycle formation, and as a precursor for biologically active molecules, it is rigorously tested via HPLC, NMR, and MS to meet the highest quality standards. Store in a cool, dry place under inert conditions to maintain stability.

Properties

  • CAS Number: 176718-54-0
  • Complexity: 200
  • IUPAC Name: 2-amino-5-bromo-3-methoxy-benzonitrile
  • InChI: InChI=1S/C8H7BrN2O/c1-12-7-3-6(9)2-5(4-10)8(7)11/h2-3H,11H2,1H3
  • InChI Key: LTAUXXMHNXMZJB-UHFFFAOYSA-N
  • Exact Mass: 225.97418
  • Molecular Formula: C8H7BrN2O
  • Molecular Weight: 227.06
  • SMILES: COC1=CC(=CC(=C1N)C#N)Br
  • Topological: 59
  • Monoisotopic Mass: 225.97418
  • Synonyms: 2-amino-5-bromo-3-methoxybenzonitrile, 176718-54-0, 858-659-2, MFCD22570412, SCHEMBL2658509, LTAUXXMHNXMZJB-UHFFFAOYSA-N, BS-53355, DB-392591, CS-0161447

Application

2-Amino-5-bromo-3-methoxybenzonitrile is a key building block in medicinal chemistry for the synthesis of kinase inhibitors and other therapeutic agents. Its reactive bromo and amino groups facilitate Suzuki-Miyaura and Buchwald-Hartwig couplings, enabling the construction of complex heterocycles. Researchers also employ it in the development of fluorescent dyes and agrochemical intermediates due to its electron-rich aromatic core.

Safety and Hazards

GHS Hazard Statements

  • H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
  • H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
  • H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

Precautionary Statements

  • P264, P264+P265, P270, P280, P301+P316, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, P405, and P501

Hazard Classes and Categories

  • Acute Tox. 3 (100%)
  • Skin Irrit. 2 (100%)
  • Eye Irrit. 2 (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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