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Atomfair Methyl 2-amino-4-chloro-5-iodobenzoate C8H7ClINO2 CAS 199850-56-1

Methyl 2-amino-4-chloro-5-iodobenzoate (CAS No. 199850-56-1) is a high-purity, synthetic benzoate derivative with the molecular formula C8H7ClINO2. This compound is characterized by its distinct functional groups, including an amino (-NH2), chloro (-Cl), and iodo (-I) substituents on the aromatic ring, as well as a methyl ester moiety. It is a valuable intermediate in organic synthesis and pharmaceutical research, particularly in the development of heterocyclic compounds and active pharmaceutical ingredients (APIs). Our product is rigorously tested for purity and stability, ensuring optimal performance in laboratory and industrial applications. Available in various quantities, it is supplied with comprehensive analytical data (including1H NMR,13C NMR,…

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Description

Methyl 2-amino-4-chloro-5-iodobenzoate (CAS No. 199850-56-1) is a high-purity, synthetic benzoate derivative with the molecular formula C8H7ClINO2. This compound is characterized by its distinct functional groups, including an amino (-NH2), chloro (-Cl), and iodo (-I) substituents on the aromatic ring, as well as a methyl ester moiety. It is a valuable intermediate in organic synthesis and pharmaceutical research, particularly in the development of heterocyclic compounds and active pharmaceutical ingredients (APIs). Our product is rigorously tested for purity and stability, ensuring optimal performance in laboratory and industrial applications. Available in various quantities, it is supplied with comprehensive analytical data (including 1H NMR, 13C NMR, and HPLC) to meet the stringent requirements of researchers and scientists.

Properties

  • CAS Number: 199850-56-1
  • Complexity: 203
  • IUPAC Name: methyl 2-amino-4-chloro-5-iodo-benzoate
  • InChI: InChI=1S/C8H7ClINO2/c1-13-8(12)4-2-6(10)5(9)3-7(4)11/h2-3H,11H2,1H3
  • InChI Key: ZGCFYZJEPDVXQD-UHFFFAOYSA-N
  • Exact Mass: 310.92100
  • Molecular Formula: C8H7ClINO2
  • Molecular Weight: 311.50
  • SMILES: COC(=O)C1=CC(=C(C=C1N)Cl)I
  • Topological: 52.3
  • Monoisotopic Mass: 310.92100
  • Synonyms: METHYL 2-AMINO-4-CHLORO-5-IODOBENZOATE, 199850-56-1, DTXSID00445871, DTXCID00396692, 891-696-2, 2-amino-4-chloro-5-iodo-benzoic acid methyl ester, MFCD11977364, METHYL2-AMINO-4-CHLORO-5-IODOBENZOATE, 2-amino-4-chloro-5-iodobenzoic acid methyl ester, SCHEMBL857214, Benzoicacid, 2-amino-4-chloro-5-iodo-, methyl ester, ZGCFYZJEPDVXQD-UHFFFAOYSA-N, Methyl 4-chloro-5-iodoanthranilate, ZHA85056, AKOS015909099, DS-7316, CS-0041075, EN300-310443, Z1269118918

Application

Methyl 2-amino-4-chloro-5-iodobenzoate is widely used as a key intermediate in the synthesis of complex organic molecules, particularly in medicinal chemistry and drug discovery. Its reactive sites make it suitable for cross-coupling reactions, such as Suzuki-Miyaura or Buchwald-Hartwig couplings, to construct diverse heterocyclic scaffolds. This compound is also employed in the development of agrochemicals and specialty chemicals due to its versatile functionalization potential. Researchers utilize it in the preparation of halogenated aromatic compounds for further derivatization or as a building block in multi-step synthetic routes.

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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