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Atomfair Benzoic acid, 2-amino-4-bromo-5-fluoro-, methyl ester C8H7BrFNO2 CAS 1395493-30-7

The Benzoic acid, 2-amino-4-bromo-5-fluoro-, methyl ester (CAS: 1395493-30-7) is a high-purity fluorinated benzoate derivative with a molecular formula of C8H7BrFNO2. This compound is characterized by its unique structural features, including an amino group at the 2-position, a bromo substituent at the 4-position, and a fluoro group at the 5-position of the benzene ring, esterified with a methyl group. It is an essential intermediate in pharmaceutical and agrochemical research, offering versatility in synthetic applications due to its reactive sites. Supplied as a crystalline solid, it is rigorously tested for purity (typically ≥95% by HPLC or GC analysis) and stability under recommended…

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Description

The Benzoic acid, 2-amino-4-bromo-5-fluoro-, methyl ester (CAS: 1395493-30-7) is a high-purity fluorinated benzoate derivative with a molecular formula of C8H7BrFNO2. This compound is characterized by its unique structural features, including an amino group at the 2-position, a bromo substituent at the 4-position, and a fluoro group at the 5-position of the benzene ring, esterified with a methyl group. It is an essential intermediate in pharmaceutical and agrochemical research, offering versatility in synthetic applications due to its reactive sites. Supplied as a crystalline solid, it is rigorously tested for purity (typically ≥95% by HPLC or GC analysis) and stability under recommended storage conditions (2-8°C in a dry, inert atmosphere). Ideal for use in cross-coupling reactions, heterocycle synthesis, and as a building block for bioactive molecules. Available in research quantities with comprehensive analytical data (MS, NMR, IR) for verification.

Properties

  • CAS Number: 1395493-30-7
  • Complexity: 203
  • IUPAC Name: methyl 2-amino-4-bromo-5-fluoro-benzoate
  • InChI: InChI=1S/C8H7BrFNO2/c1-13-8(12)4-2-6(10)5(9)3-7(4)11/h2-3H,11H2,1H3
  • InChI Key: OVHIPEYONTVANB-UHFFFAOYSA-N
  • Exact Mass: 246.96442
  • Molecular Formula: C8H7BrFNO2
  • Molecular Weight: 248.05
  • SMILES: COC(=O)C1=CC(=C(C=C1N)Br)F
  • Topological: 52.3
  • Monoisotopic Mass: 246.96442
  • Synonyms: 1395493-30-7, Benzoic acid, 2-amino-4-bromo-5-fluoro-, methyl ester, methyl 2-amino-4-bromo-5-fluorobenzoate, 2-amino-4-bromo-5-fluoro-benzoic acid methyl ester, MFCD22565660, SCHEMBL16858435, OVHIPEYONTVANB-UHFFFAOYSA-N, DTXSID101216271, VFC49330, CL9212, AKOS027251781, methyl2-amino-4-bromo-5-fluorobenzoate, DS-10223, SY102839, DB-101255, CS-0130818, EN300-192859

This compound serves as a key intermediate in the synthesis of fluorinated pharmaceuticals, particularly in the development of kinase inhibitors and antibacterial agents. Its reactive bromo and amino groups enable facile functionalization via Buchwald-Hartwig amination or Suzuki-Miyaura cross-coupling. Researchers utilize it to construct complex heterocycles in medicinal chemistry programs. Suitable for exploratory studies in drug discovery and material science.

Safety and Hazards

GHS Hazard Statements

  • H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
  • 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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

  • Acute Tox. 4 (100%)
  • 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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