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Atomfair 1H-Benzotriazole-5-carboxylic acid C7H5N3O2 CAS 23814-12-2

1H-Benzotriazole-5-carboxylic acid (CAS No. 23814-12-2) is a high-purity heterocyclic organic compound with the molecular formula C7H5N3O2. This benzotriazole derivative features a carboxylic acid functional group at the 5-position, making it a versatile intermediate for organic synthesis and pharmaceutical applications. The compound is characterized by its white to off-white crystalline powder form, with a molecular weight of 163.13 g/mol. It exhibits excellent stability under standard laboratory conditions and is soluble in polar organic solvents such as DMSO, methanol, and ethanol. Ideal for researchers in medicinal chemistry, this product is rigorously tested for purity (typically ≥95% by HPLC) and is supplied with…

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Description

1H-Benzotriazole-5-carboxylic acid (CAS No. 23814-12-2) is a high-purity heterocyclic organic compound with the molecular formula C7H5N3O2. This benzotriazole derivative features a carboxylic acid functional group at the 5-position, making it a versatile intermediate for organic synthesis and pharmaceutical applications. The compound is characterized by its white to off-white crystalline powder form, with a molecular weight of 163.13 g/mol. It exhibits excellent stability under standard laboratory conditions and is soluble in polar organic solvents such as DMSO, methanol, and ethanol. Ideal for researchers in medicinal chemistry, this product is rigorously tested for purity (typically ≥95% by HPLC) and is supplied with detailed analytical documentation, including 1H NMR and LC-MS data. Store in a cool, dry place, protected from light and moisture to ensure long-term stability.

Properties

  • CAS Number: 23814-12-2
  • Complexity: 197
  • IUPAC Name: 2H-benzotriazole-5-carboxylic acid
  • InChI: InChI=1S/C7H5N3O2/c11-7(12)4-1-2-5-6(3-4)9-10-8-5/h1-3H,(H,11,12)(H,8,9,10)
  • InChI Key: GUOVBFFLXKJFEE-UHFFFAOYSA-N
  • Exact Mass: 163.038176411
  • Molecular Formula: C7H5N3O2
  • Molecular Weight: 163.13
  • SMILES: C1=CC2=NNN=C2C=C1C(=O)O
  • Topological: 78.9
  • Monoisotopic Mass: 163.038176411
  • Synonyms: 23814-12-2, Benzotriazole-5-carboxylic acid, 1H-Benzotriazole-5-carboxylic acid, 1H-Benzo[d][1,2,3]triazole-5-carboxylic acid, 2H-Benzo[d][1,2,3]triazole-5-carboxylic acid, 49636-03-5, 1H-1,2,3-Benzotriazole-5-Carboxylic Acid, 2H-benzotriazole-5-carboxylic acid, 60932-58-3, 5-Carboxybenzotriazole, 1H-BENZO[D][1,2,3]TRIAZOLE-6-CARBOXYLIC ACID, 1H-1,2,3-benzotriazole-6-carboxylic acid, 1288339-47-8, MFCD00012318, 1H-Benzotriazolecarboxylic acid, 5-Benzotriazolecarboxylic Acid, 1H-benzotriazole-6-carboxylic acid, 1H-Benzotriazolecarboxylicacid, benzotriazole-6-carboxylic acid, Benzotriazole-5-cooh, 3H-Benzotriazole-5-carboxylic acid, EINECS 262-527-4, 5-carboxy-benzotriazole, Maybridge1_002501, CBT-1, Oprea1_101982, Oprea1_856379, DivK1c_001253, SCHEMBL119640, SCHEMBL264413, SCHEMBL939189, CHEMBL373015, SCHEMBL8964789, SCHEMBL8965430, SCHEMBL9276651, SCHEMBL9286289, HMS548J15, DTXSID10881049, STR04366, BBL012552, CK2159, MFCD00603072, MFCD22123440, SBB003927, SC4277, STK396305, AKOS000104185, AKOS000268867, Benzotriazole-5-carboxylic acid, 99%, AC-1702, CS-W019369, SB66975, CDS1_000213, NCGC00334824-01, BP-12376, SY002052, TS-00111, B3869, NS00000565, ST50135922, EN300-09511, 3H-Benzotriazole-5-carboxylic acid, AldrichCPR, AB01105617-03, 1H-benzo[d]-[1,2,3]triazole-5-carboxylic acid, AE-848/06061008, Q63393716, Z1718361949

Application

1H-Benzotriazole-5-carboxylic acid is widely used as a key building block in the synthesis of pharmaceutical compounds, particularly for developing kinase inhibitors and antiviral agents. Its benzotriazole core serves as a privileged scaffold in medicinal chemistry, enabling the creation of bioactive molecules with enhanced binding affinity. Researchers also employ this compound in material science for designing corrosion inhibitors and UV stabilizers due to its heterocyclic aromatic structure. Additionally, it finds utility in peptide coupling reactions as a carboxyl-activated intermediate.

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 (97.7%): 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

  • Acute Tox. 4 (78.6%)
  • Acute Tox. 3 (78.6%)
  • Skin Irrit. 2 (17.9%)
  • Eye Irrit. 2 (17.9%)
  • STOT SE 3 (17.9%)

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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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