Description

Ethyl 3,4-Diaminobenzoate (CAS No. 37466-90-3) is a high-purity aromatic ester with the molecular formula C₉H₁₂N₂O₂. This compound, also known by its IUPAC name ethyl 3,4-diaminobenzoate, features both amine and ester functional groups, making it a versatile intermediate for organic synthesis and pharmaceutical research. With a molecular weight of 180.21 g/mol, it is supplied as a crystalline solid with >98% purity (HPLC), ensuring consistency for sensitive applications. Ideal for researchers in medicinal chemistry, polymer science, and dye synthesis, this product is rigorously tested for impurities (GC/MS, NMR) and packaged under inert conditions to guarantee stability. Available in quantities from grams to kilograms, it includes detailed analytical certificates (CoA) and safety data sheets (SDS) for regulatory compliance.

Properties

• CAS Number: 37466-90-3
• Complexity: 184
• IUPAC Name: ethyl 3,4-diaminobenzoate
• InChI: InChI=1S/C9H12N2O2/c1-2-13-9(12)6-3-4-7(10)8(11)5-6/h3-5H,2,10-11H2,1H3
• InChI Key: NUJBTXFFJUGENN-UHFFFAOYSA-N
• Exact Mass: 180.089877630
• Molecular Formula: C9H12N2O2
• Molecular Weight: 180.20
• SMILES: CCOC(=O)C1=CC(=C(C=C1)N)N
• Topological: 78.3
• Monoisotopic Mass: 180.089877630
• Synonyms: ethyl 3,4-diaminobenzoate, 37466-90-3, DTXSID60332576, DTXCID50283669, 670-460-0, 3,4-diaminobenzoic acid ethyl ester, MFCD00179337, Ethyl 3,4-diaminobenzoate, 97%, ETHYL3,4-DIAMINOBENZOATE, Benzoic acid, 3,4-diamino-, ethyl ester, 3,4-diamino-benzoic acid ethyl ester, Maybridge3_004764, SCHEMBL940578, NUJBTXFFJUGENN-UHFFFAOYSA-N, CS-M1560, STR09661, SBB079269, 3,4-Diaminobenzoic acid, ethyl ester, AKOS005169874, CCG-249671, FE34287, PS-4104, IDI1_016151, AC-30075, SY043331, DB-049117, E0930, ST50825154, EN300-110914, Q27459836, F0001-1076

Application

Ethyl 3,4-Diaminobenzoate serves as a key building block in the synthesis of heterocyclic compounds, particularly benzimidazole derivatives with potential pharmaceutical activity. It is utilized in the development of corrosion inhibitors and epoxy curing agents due to its dual amine functionality. Researchers also employ it as a precursor for azo dyes and conductive polymers in material science applications.

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 (83.3%): 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 (83.3%)

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Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.