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Atomfair (3E)-4-(dimethylamino)-1,1,1-trifluorobut-3-en-2-one C6H8F3NO CAS 127223-93-2

(3E)-4-(Dimethylamino)-1,1,1-trifluorobut-3-en-2-one (CAS No. 127223-93-2) is a high-purity fluorinated enone compound with the molecular formula C6H8F3NO . This specialized chemical features a trifluoromethyl group and a dimethylamino substituent, making it a valuable building block for organic synthesis and medicinal chemistry applications. The compound is supplied as a stable solid or liquid (depending on storage conditions) with ≥95% purity (GC), ensuring consistency for research and industrial use. Its unique structure enables participation in Michael additions, cyclizations, and other nucleophilic reactions, particularly in the synthesis of fluorinated heterocycles. Proper storage under inert atmosphere at 2-8°C is recommended to maintain stability.

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Description

(3E)-4-(Dimethylamino)-1,1,1-trifluorobut-3-en-2-one (CAS No. 127223-93-2) is a high-purity fluorinated enone compound with the molecular formula C6H8F3NO. This specialized chemical features a trifluoromethyl group and a dimethylamino substituent, making it a valuable building block for organic synthesis and medicinal chemistry applications. The compound is supplied as a stable solid or liquid (depending on storage conditions) with ≥95% purity (GC), ensuring consistency for research and industrial use. Its unique structure enables participation in Michael additions, cyclizations, and other nucleophilic reactions, particularly in the synthesis of fluorinated heterocycles. Proper storage under inert atmosphere at 2-8°C is recommended to maintain stability.

Properties

  • CAS Number: 127223-93-2
  • Complexity: 171
  • IUPAC Name: (E)-4-(dimethylamino)-1,1,1-trifluoro-but-3-en-2-one
  • InChI: InChI=1S/C6H8F3NO/c1-10(2)4-3-5(11)6(7,8)9/h3-4H,1-2H3/b4-3+
  • InChI Key: OPFMBYIQGSJDOB-ONEGZZNKSA-N
  • Exact Mass: 167.05579836
  • Molecular Formula: C6H8F3NO
  • Molecular Weight: 167.13
  • SMILES: CN(C)/C=C/C(=O)C(F)(F)F
  • Topological: 20.3
  • Monoisotopic Mass: 167.05579836
  • Solubility: 17.9 [ug/mL]
  • Synonyms: (3E)-4-(dimethylamino)-1,1,1-trifluorobut-3-en-2-one, 849-587-2, 127223-93-2, (E)-4-(dimethylamino)-1,1,1-trifluorobut-3-en-2-one, 4-(dimethylamino)-1,1,1-trifluorobut-3-en-2-one, 142503-25-1, 3-Buten-2-one, 4-(dimethylamino)-1,1,1-trifluoro-, (3E)-, MLS001005748, SCHEMBL3514649, (E)-4-(dimethylamino)-1,1,1-trifluoro-3-buten-2-one, CHEMBL1864263, (3E)-4-(dimethylamino)-1,1,1-trifluoro-3-buten-2-one, HMS1765C05, HMS2693J14, AKOS001029035, AS-9636, SMR000384117, CS-0217243, EN300-113478, EN300-719488, F83078, Z56785660

Application

This fluorinated enone serves as a key intermediate in pharmaceutical research, particularly for developing bioactive molecules with enhanced metabolic stability through fluorine incorporation. It’s widely used in materials science for creating fluorinated polymers with unique electronic properties. The compound’s reactivity also makes it valuable in agrochemical synthesis and as a precursor for advanced OLED materials.

Safety and Hazards

GHS Hazard Statements

  • H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
  • H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
  • H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
  • 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, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

  • Acute Tox. 4 (100%)
  • Skin Irrit. 2 (100%)
  • Skin Sens. 1 (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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