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Atomfair 2-Chloro-5-(trifluoromethyl)-1,3-benzoxazole C8H3ClF3NO CAS 114997-91-0

2-Chloro-5-(trifluoromethyl)-1,3-benzoxazole (CAS No. 114997-91-0) is a high-purity heterocyclic compound with the molecular formula C8H3ClF3NO . This benzoxazole derivative features a chloro substituent at the 2-position and a trifluoromethyl group at the 5-position, offering unique reactivity for advanced synthetic applications. Ideal for pharmaceutical, agrochemical, and materials science research, this compound is supplied as a crystalline solid with ≥95% purity (HPLC). Its structural motifs are valuable for designing bioactive molecules, fluorinated intermediates, and functional materials. Store under inert conditions at 2-8°C to ensure stability. Available in customizable quantities (mg to kg scale) with optional analytical certificates (CoA, NMR, MS).

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Description

2-Chloro-5-(trifluoromethyl)-1,3-benzoxazole (CAS No. 114997-91-0) is a high-purity heterocyclic compound with the molecular formula C8H3ClF3NO. This benzoxazole derivative features a chloro substituent at the 2-position and a trifluoromethyl group at the 5-position, offering unique reactivity for advanced synthetic applications. Ideal for pharmaceutical, agrochemical, and materials science research, this compound is supplied as a crystalline solid with ≥95% purity (HPLC). Its structural motifs are valuable for designing bioactive molecules, fluorinated intermediates, and functional materials. Store under inert conditions at 2-8°C to ensure stability. Available in customizable quantities (mg to kg scale) with optional analytical certificates (CoA, NMR, MS).

Properties

  • CAS Number: 114997-91-0
  • Complexity: 223
  • IUPAC Name: 2-chloro-5-(trifluoromethyl)-1,3-benzoxazole
  • InChI: InChI=1S/C8H3ClF3NO/c9-7-13-5-3-4(8(10,11)12)1-2-6(5)14-7/h1-3H
  • InChI Key: USIZXRJQPABFJF-UHFFFAOYSA-N
  • Exact Mass: 220.9855259
  • Molecular Formula: C8H3ClF3NO
  • Molecular Weight: 221.56
  • SMILES: C1=CC2=C(C=C1C(F)(F)F)N=C(O2)Cl
  • Topological: 26
  • Monoisotopic Mass: 220.9855259
  • Synonyms: 114997-91-0, 2-CHLORO-5-(TRIFLUOROMETHYL)-1,3-BENZOXAZOLE, DTXSID10556861, DTXCID80507643, 859-111-5, 2-Chloro-5-(trifluoromethyl)benzo[d]oxazole, Benzoxazole, 2-chloro-5-(trifluoromethyl)-, 2-chloro-5-(trifluoromethyl)benzoxazole, MFCD18250484, SCHEMBL3080166, USIZXRJQPABFJF-UHFFFAOYSA-N, AKOS016004872, AB73088, AS-50056, SY102862, DB-355775, EN300-387878, O10726

Application

2-Chloro-5-(trifluoromethyl)-1,3-benzoxazole serves as a versatile building block in medicinal chemistry for the synthesis of trifluoromethyl-containing heterocycles. It is employed in cross-coupling reactions to develop potential kinase inhibitors and antimicrobial agents. The compound’s electron-deficient benzoxazole core also facilitates the creation of fluorescent probes and OLED materials. Researchers utilize it to introduce both chlorine and trifluoromethyl groups into target molecules for enhanced lipophilicity and metabolic stability.

Safety and Hazards

GHS Hazard Statements

  • H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
  • 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, 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 (100%)
  • Eye Irrit. 2A (100%)
  • STOT SE 3 (100%)

If you are interested or have any questions, please contact us at support@atomfair.com

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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