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Atomfair 5-Nitroindazole C7H5N3O2 CAS 5401-94-5

5-Nitroindazole (CAS No. 5401-94-5) is a high-purity nitro-substituted indazole derivative with the molecular formula C7H5N3O2. This heterocyclic aromatic compound, also known by its IUPAC name 5-nitro-1H-indazole , is a valuable building block in organic synthesis and pharmaceutical research. Our product is rigorously tested to ensure ≥98% purity (HPLC) and is supplied as a fine yellow to light brown crystalline powder. It is soluble in dimethyl sulfoxide (DMSO) and slightly soluble in methanol, making it suitable for various experimental applications. Each batch is accompanied by comprehensive analytical data including1H NMR, HPLC chromatograms, and mass spectrometry results. Packaged under inert gas in…

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Description

5-Nitroindazole (CAS No. 5401-94-5) is a high-purity nitro-substituted indazole derivative with the molecular formula C7H5N3O2. This heterocyclic aromatic compound, also known by its IUPAC name 5-nitro-1H-indazole, is a valuable building block in organic synthesis and pharmaceutical research. Our product is rigorously tested to ensure ≥98% purity (HPLC) and is supplied as a fine yellow to light brown crystalline powder. It is soluble in dimethyl sulfoxide (DMSO) and slightly soluble in methanol, making it suitable for various experimental applications. Each batch is accompanied by comprehensive analytical data including 1H NMR, HPLC chromatograms, and mass spectrometry results. Packaged under inert gas in amber glass vials with PTFE-lined caps to ensure stability, this compound is ideal for medicinal chemistry, enzyme inhibition studies, and as a precursor for more complex indazole derivatives.

Properties

  • CAS Number: 5401-94-5
  • Complexity: 192
  • IUPAC Name: 5-nitro-1H-indazole
  • InChI: InChI=1S/C7H5N3O2/c11-10(12)6-1-2-7-5(3-6)4-8-9-7/h1-4H,(H,8,9)
  • InChI Key: WSGURAYTCUVDQL-UHFFFAOYSA-N
  • Exact Mass: 163.038176411
  • Molecular Formula: C7H5N3O2
  • Molecular Weight: 163.13
  • SMILES: C1=CC2=C(C=C1[N+](=O)[O-])C=NN2
  • Topological: 74.5
  • Monoisotopic Mass: 163.038176411
  • Physical Description: Yellow odorless powder;
  • Solubility: 14.2 [ug/mL]
  • Vapor Pressure: 0.0000128 [mmHg]
  • Synonyms: 5-Nitroindazole, 5-Nitro-1H-indazole, 1H-INDAZOLE, 5-NITRO-, CCRIS 4134, NSC 5032, EINECS 226-451-5, UNII-235Y7P37ZD, BRN 0007936, DTXSID5049316, 5-NITRO-1H-BENZOPYRAZOLE, 235Y7P37ZD, NSC-5032, NITROINDAZOLE, 5-, INDAZOLE, 5-NITRO-, DTXCID4029272, 5-23-06-00180 (Beilstein Handbook Reference), 5Nitro1Hindazole, Nitroindazole, 5, 1HIndazole, 5nitro, Nitro1Hindazole, 5, 226-451-5, inchi=1/c7h5n3o2/c11-10(12)6-1-2-7-5(3-6)4-8-9-7/h1-4h,(h,8,9, wsguraytcuvdql-uhfffaoysa-n, 5401-94-5, 5-nitro-1H-indazol, 5-nitro-indazole, MFCD00005693, CHEMBL165372, 5NI, 5-nitro-2H-indazole, 5-Nitroindazol, 5-nitro indazole, 5-nitro-IH-indazole, 4lm0, 5-Nitroindazole, >=99%, 65750-01-8, MLS000728712, SCHEMBL148826, SCHEMBL2980594, SCHEMBL2980597, SCHEMBL17594510, SCHEMBL25263918, NSC5032, HMS2699L04, HMS3604H19, BCP23472, CS-B1273, Tox21_202925, BDBM50304144, SBB002561, STK764725, AKOS000120077, AKOS015966034, AKOS024268503, AC-2732, DB04534, FN36705, PB25890, NCGC00245898-01, NCGC00260471-01, AS-11700, PD059222, SMR000306991, SY002722, CAS-5401-94-5, DB-014603, DB-207167, ST4097030, N0398, NS00020000, EN300-18228, A829911, AQ-776/40649175, Q27253724, Z57471016, F0001-1417

Application

5-Nitroindazole serves as a key intermediate in the synthesis of various pharmacologically active compounds, particularly those targeting nitric oxide synthase inhibition. Researchers utilize this compound in developing potential therapeutic agents for cardiovascular and neurological disorders. Its nitro group makes it valuable for studying redox-active biological systems and as a precursor for fluorescent probes in biochemical assays.

Safety and Hazards

GHS Hazard Statements

  • H302 (88%): Harmful if swallowed [Warning Acute toxicity, oral]
  • H315 (96%): Causes skin irritation [Warning Skin corrosion/irritation]
  • H319 (96%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
  • H335 (92%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
  • H341 (10%): Suspected of causing genetic defects [Warning Germ cell mutagenicity]

Precautionary Statements

  • P203, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

  • Acute Tox. 4 (88%)
  • Skin Irrit. 2 (96%)
  • Eye Irrit. 2 (96%)
  • STOT SE 3 (92%)
  • Muta. 2 (10%)

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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

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  • 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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