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.