Description

Methyl 1H-1,2,3-benzotriazole-5-carboxylate (CAS No. 113053-50-2) is a high-purity organic compound with the molecular formula C₈H₇N₃O₂. This benzotriazole derivative is widely utilized in pharmaceutical research, agrochemical synthesis, and material science due to its versatile reactivity and structural properties. The compound features a carboxylate ester group at the 5-position of the benzotriazole ring, enhancing its utility as a building block for heterocyclic chemistry. Our product is rigorously tested to ensure ≥98% purity (HPLC), with detailed analytical data (NMR, MS) provided for quality assurance. Suitable for use in coupling reactions, ligand design, and as a precursor for bioactive molecules. Packaged under inert gas to guarantee stability and shipped with a Certificate of Analysis.

Properties

• CAS Number: 113053-50-2
• Complexity: 210
• IUPAC Name: methyl 2H-benzotriazole-5-carboxylate
• InChI: InChI=1S/C8H7N3O2/c1-13-8(12)5-2-3-6-7(4-5)10-11-9-6/h2-4H,1H3,(H,9,10,11)
• InChI Key: ZMMBQCILDZFYKX-UHFFFAOYSA-N
• Exact Mass: 177.053826475
• Molecular Formula: C8H7N3O2
• Molecular Weight: 177.16
• SMILES: COC(=O)C1=CC2=NNN=C2C=C1
• Topological: 67.9
• Monoisotopic Mass: 177.053826475
• Synonyms: Methyl 1H-1,2,3-benzotriazole-5-carboxylate, 886-659-2, 113053-50-2, METHYL 1,2,3-BENZOTRIAZOLE-5-CARBOXYLATE, Methyl 1H-benzo[d][1,2,3]triazole-6-carboxylate, methyl 2H-benzotriazole-5-carboxylate, 1H-Benzotriazole-5-carboxylic acid, methyl ester, methyl benzotriazole-5-carboxylate, MFCD00174276, Methyl 1H-benzotriazole-5-carboxylate, Maybridge1_005995, 1H-Benzotriazole-6-carboxylicacid, methyl ester, Methyl 1H-benzo[d][1,2,3]triazole-5-carboxylate, 6-methoxycarbonyl-benzotriazole, SCHEMBL1155736, SCHEMBL5636593, SCHEMBL9871375, HMS558I11, DTXSID00423351, SBB054052, AKOS005254819, AKOS022171448, PS-4467, ST092376, 1H-Benzotriazole-5-carboxylic acid methylester, I10026, EN300-1074202, Methyl1H-benzo[d][1,2,3]triazole-6-carboxylate

Application

Methyl 1H-1,2,3-benzotriazole-5-carboxylate serves as a key intermediate in the synthesis of corrosion inhibitors, UV absorbers, and pharmaceutical agents targeting kinase modulation. Its benzotriazole core is instrumental in developing agrochemicals with enhanced pesticidal activity. Researchers also employ this compound in metal-organic framework (MOF) construction due to its chelating potential.

Safety and Hazards

GHS Hazard Statements

• H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
• H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]
• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
• 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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 4 (100%)
• Acute Tox. 4 (100%)
• Skin Irrit. 2 (100%)
• Eye Irrit. 2A (100%)
• Acute Tox. 4 (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.