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Atomfair 3-Amino-5-(methoxycarbonyl)benzoic acid C9H9NO4 CAS 28179-47-7

3-Amino-5-(methoxycarbonyl)benzoic acid (CAS: 28179-47-7) is a high-purity organic compound with the molecular formula C9H9NO4. This versatile chemical features both an amino (-NH2) and carboxylic acid (-COOH) functional group, along with a methoxycarbonyl (-COOCH3) moiety, making it an excellent intermediate for pharmaceutical synthesis, agrochemical development, and advanced material research. With a molecular weight of 195.17 g/mol, this compound is supplied as a fine powder or crystalline solid, ensuring consistent performance in demanding applications. Its structural properties enable use in coupling reactions, polymer modifications, and as a precursor for heterocyclic compounds. Ideal for researchers and industrial scientists seeking reliable building blocks for…

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Description

3-Amino-5-(methoxycarbonyl)benzoic acid (CAS: 28179-47-7) is a high-purity organic compound with the molecular formula C9H9NO4. This versatile chemical features both an amino (-NH2) and carboxylic acid (-COOH) functional group, along with a methoxycarbonyl (-COOCH3) moiety, making it an excellent intermediate for pharmaceutical synthesis, agrochemical development, and advanced material research. With a molecular weight of 195.17 g/mol, this compound is supplied as a fine powder or crystalline solid, ensuring consistent performance in demanding applications. Its structural properties enable use in coupling reactions, polymer modifications, and as a precursor for heterocyclic compounds. Ideal for researchers and industrial scientists seeking reliable building blocks for complex molecular architectures.

Properties

  • CAS Number: 28179-47-7
  • Complexity: 241
  • IUPAC Name: 3-amino-5-methoxycarbonyl-benzoic acid
  • InChI: InChI=1S/C9H9NO4/c1-14-9(13)6-2-5(8(11)12)3-7(10)4-6/h2-4H,10H2,1H3,(H,11,12)
  • InChI Key: QGGKQIDRZUUHAR-UHFFFAOYSA-N
  • Exact Mass: 195.05315777
  • Molecular Formula: C9H9NO4
  • Molecular Weight: 195.17
  • SMILES: COC(=O)C1=CC(=CC(=C1)C(=O)O)N
  • Topological: 89.6
  • Monoisotopic Mass: 195.05315777
  • Synonyms: 28179-47-7, 3-Amino-5-(methoxycarbonyl)benzoic acid, DTXSID20543823, DTXCID60494608, 630-261-1, 5-Aminoisophthalic acid monomethyl ester, 3-amino-5-methoxycarbonylbenzoic acid, MFCD00224870, MONOMETHYL 5-AMINOISOPHTHALATE, Monomethyl-5-Amino-Isophthalate, Monomethyl 5-amino isophthalate, SCHEMBL2205901, QGGKQIDRZUUHAR-UHFFFAOYSA-N, 5-aminoisophthalic acid methyl ester, AC-635, AKOS005146116, 3-Amino-5-(methoxycarbonyl)benzoicacid, AB04984, DS-1759, SY104327, EN300-179245

3-Amino-5-(methoxycarbonyl)benzoic acid is widely used as a key intermediate in the synthesis of pharmaceuticals, particularly for active pharmaceutical ingredients (APIs) targeting neurological and metabolic disorders. Its bifunctional reactivity makes it valuable in peptide coupling and polymer chemistry for creating high-performance materials. Additionally, this compound serves as a precursor in the development of dyes, agrochemicals, and specialty coatings due to its stable aromatic backbone and modifiable functional groups.

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. 2 (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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