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Atomfair 1-Benzyl-1H-pyrazole-4-carboxylic acid C11H10N2O2 CAS 401647-24-3

1-Benzyl-1H-pyrazole-4-carboxylic acid (CAS No. 401647-24-3) is a high-purity organic compound with the molecular formula C11H10N2O2. This heterocyclic carboxylic acid features a benzyl-substituted pyrazole core, making it a valuable intermediate in pharmaceutical and agrochemical research. Its IUPAC name is 1-benzylpyrazole-4-carboxylic acid , and it is characterized by excellent stability under standard laboratory conditions. Available in white to off-white crystalline powder form, this compound is rigorously tested for purity (typically ≥95% by HPLC) and is packaged under inert gas to ensure long-term stability. Ideal for use in medicinal chemistry, ligand synthesis, and as a building block for more complex molecules.

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Description

1-Benzyl-1H-pyrazole-4-carboxylic acid (CAS No. 401647-24-3) is a high-purity organic compound with the molecular formula C11H10N2O2. This heterocyclic carboxylic acid features a benzyl-substituted pyrazole core, making it a valuable intermediate in pharmaceutical and agrochemical research. Its IUPAC name is 1-benzylpyrazole-4-carboxylic acid, and it is characterized by excellent stability under standard laboratory conditions. Available in white to off-white crystalline powder form, this compound is rigorously tested for purity (typically ≥95% by HPLC) and is packaged under inert gas to ensure long-term stability. Ideal for use in medicinal chemistry, ligand synthesis, and as a building block for more complex molecules.

Properties

  • CAS Number: 401647-24-3
  • Complexity: 227
  • IUPAC Name: 1-benzylpyrazole-4-carboxylic acid
  • InChI: InChI=1S/C11H10N2O2/c14-11(15)10-6-12-13(8-10)7-9-4-2-1-3-5-9/h1-6,8H,7H2,(H,14,15)
  • InChI Key: KGDOHXYALMXHLF-UHFFFAOYSA-N
  • Exact Mass: 202.074227566
  • Molecular Formula: C11H10N2O2
  • Molecular Weight: 202.21
  • SMILES: C1=CC=C(C=C1)CN2C=C(C=N2)C(=O)O
  • Topological: 55.1
  • Monoisotopic Mass: 202.074227566
  • Synonyms: 1-Benzyl-1H-pyrazole-4-carboxylic acid, 401647-24-3, DTXSID80424341, DTXCID10375175, 800-584-4, 1-benzylpyrazole-4-carboxylic acid, MFCD05864591, W3U, SCHEMBL553830, KGDOHXYALMXHLF-UHFFFAOYSA-N, ALBB-000150, 1-Benzyl pyrazole 4-carboxylic acid, BBL016269, SBB009665, STK350146, AKOS000206940, AS-5724, BP-11209, SY079436, DB-028272, CS-0060527, ST45134341, EN300-14396, Z104341182

Application

1-Benzyl-1H-pyrazole-4-carboxylic acid is widely utilized as a key intermediate in the synthesis of biologically active compounds, particularly in drug discovery and development. Its pyrazole-carboxylic acid moiety makes it suitable for metal-organic framework (MOF) construction and coordination chemistry applications. Researchers also employ this compound in the design of enzyme inhibitors and receptor modulators due to its versatile reactivity. It serves as a precursor for functionalized pyrazole derivatives in agrochemical and material science research.

Safety and Hazards

GHS Hazard Statements

  • H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
  • H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]
  • H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
  • H335 (50%): 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 (50%)
  • Eye Irrit. 2A (100%)
  • STOT SE 3 (50%)

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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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