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Atomfair 2-Chloro-3,5-dinitrobenzoic acid C7H3ClN2O6 CAS 2497-91-8

2-Chloro-3,5-dinitrobenzoic acid (CAS No. 2497-91-8) is a high-purity nitroaromatic compound with the molecular formula C7H3ClN2O6, widely utilized in organic synthesis and pharmaceutical research. This crystalline solid features a benzoic acid core substituted with chloro and nitro functional groups at the 2, 3, and 5 positions, offering unique reactivity for electrophilic aromatic substitution and carboxylate derivatization. Its high electron-withdrawing properties make it valuable as an intermediate in dyes, agrochemicals, and energetic materials. Packaged under inert conditions to ensure stability, this product is characterized by HPLC (>98% purity), NMR, and mass spectrometry. Ideal for controlled reactions requiring precise steric and electronic effects.

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Description

2-Chloro-3,5-dinitrobenzoic acid (CAS No. 2497-91-8) is a high-purity nitroaromatic compound with the molecular formula C7H3ClN2O6, widely utilized in organic synthesis and pharmaceutical research. This crystalline solid features a benzoic acid core substituted with chloro and nitro functional groups at the 2, 3, and 5 positions, offering unique reactivity for electrophilic aromatic substitution and carboxylate derivatization. Its high electron-withdrawing properties make it valuable as an intermediate in dyes, agrochemicals, and energetic materials. Packaged under inert conditions to ensure stability, this product is characterized by HPLC (>98% purity), NMR, and mass spectrometry. Ideal for controlled reactions requiring precise steric and electronic effects.

Properties

  • CAS Number: 2497-91-8
  • Complexity: 324
  • IUPAC Name: 2-chloro-3,5-dinitro-benzoic acid
  • InChI: InChI=1S/C7H3ClN2O6/c8-6-4(7(11)12)1-3(9(13)14)2-5(6)10(15)16/h1-2H,(H,11,12)
  • InChI Key: ADTKEYLCJYYHHH-UHFFFAOYSA-N
  • Exact Mass: 245.9679635
  • Molecular Formula: C7H3ClN2O6
  • Molecular Weight: 246.56
  • SMILES: C1=C(C=C(C(=C1C(=O)O)Cl)[N+](=O)[O-])[N+](=O)[O-]
  • Topological: 129
  • Monoisotopic Mass: 245.9679635
  • Synonyms: 2-Chloro-3,5-dinitrobenzoic acid, 2497-91-8, 2-Carboxy-4,6-dinitrochlorobenzene, 3,5-Dinitro-2-chlorobenzoic acid, PWE56YK9ST, NSC 4538, EINECS 219-684-9, BRN 2146480, NSC-4538, DTXSID20179686, 4-09-00-01359 (Beilstein Handbook Reference), CDNCB, DTXCID80102177, 219-684-9, adtkeylcjyyhhh-uhfffaoysa-n, inchi=1/c7h3cln2o6/c8-6-4(7(11)12)1-3(9(13)14)2-5(6)10(15)16/h1-2h,(h,11,12, BENZOIC ACID, 2-CHLORO-3,5-DINITRO-, MFCD00007070, NSC4538, UNII-PWE56YK9ST, WLN: WNR BG CVQ ENW, SCHEMBL1487913, SBB003177, STL503483, AKOS000119949, FC70429, 2-chloro-3,5-dinitrobenzoic acid, 97% (dry wt.), may cont. up to ca 5% water, 3,5-dinitro-1-carboxy-2-chlorobenzene, AC-10763, AS-14468, NS00021934, ST50308115, EN300-18153, H11799, Z57234283

Application

2-Chloro-3,5-dinitrobenzoic acid serves as a key intermediate in the synthesis of complex nitroaromatics for explosives and propellants. It is employed in pharmaceutical research to modify bioactive molecules via its reactive carboxyl and nitro groups. Additionally, it acts as a precursor for dyes and pigments due to its chromophoric nitro substituents.

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 (100%): 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 (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.

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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