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Atomfair 3,4,5-Trifluorophenol C6H3F3O CAS 99627-05-1

3,4,5-Trifluorophenol (CAS No. 99627-05-1) is a high-purity fluorinated phenolic compound with the molecular formula C6H3F3O . This aromatic derivative is characterized by its three fluorine substituents at the 3, 4, and 5 positions of the phenol ring, enhancing its reactivity and utility in advanced synthetic applications. Ideal for researchers and scientists, our product is rigorously tested to ensure ≥98% purity (GC) and is available in various quantities to suit laboratory-scale and industrial needs. It is supplied in sealed, light-resistant containers under inert conditions to guarantee stability and longevity. 3,4,5-Trifluorophenol is a critical intermediate in pharmaceuticals, agrochemicals, and materials science, particularly…

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Description

3,4,5-Trifluorophenol (CAS No. 99627-05-1) is a high-purity fluorinated phenolic compound with the molecular formula C6H3F3O. This aromatic derivative is characterized by its three fluorine substituents at the 3, 4, and 5 positions of the phenol ring, enhancing its reactivity and utility in advanced synthetic applications. Ideal for researchers and scientists, our product is rigorously tested to ensure ≥98% purity (GC) and is available in various quantities to suit laboratory-scale and industrial needs. It is supplied in sealed, light-resistant containers under inert conditions to guarantee stability and longevity. 3,4,5-Trifluorophenol is a critical intermediate in pharmaceuticals, agrochemicals, and materials science, particularly for constructing complex fluorinated architectures.

Key Features:

  • High reactivity for nucleophilic aromatic substitution (SNAr) and cross-coupling reactions
  • Excellent solubility in organic solvents (e.g., DMF, THF, dichloromethane)
  • Stable under inert atmospheres but sensitive to prolonged air/moisture exposure
  • Compatible with Grignard reagents, lithiation, and other organometallic transformations

Properties

  • CAS Number: 99627-05-1
  • Complexity: 108
  • IUPAC Name: 3,4,5-trifluorophenol
  • InChI: InChI=1S/C6H3F3O/c7-4-1-3(10)2-5(8)6(4)9/h1-2,10H
  • InChI Key: ZRTWIJKGTUGZJY-UHFFFAOYSA-N
  • Exact Mass: 148.01359920
  • Molecular Formula: C6H3F3O
  • Molecular Weight: 148.08
  • SMILES: C1=C(C=C(C(=C1F)F)F)O
  • Topological: 20.2
  • Monoisotopic Mass: 148.01359920
  • Synonyms: 3,4,5-Trifluorophenol, 99627-05-1, DTXSID00380718, 3,4,5-trifluorophenolate, DTXCID80331743, 436-120-9, PHENOL, 3,4,5-TRIFLUORO-, MFCD00042427, 3,4,5-Tris(Fluoranyl)phenol, 4ZDN5FRN89, SCHEMBL156893, SCHEMBL186507, Phenol,3,4,5-trifluoro-(9CI), SBB086569, AKOS005063842, 3,4,5-Trifluorophenol, >=98.0%, AC-3820, CS-W013306, FT64444, AS-14505, DB-024311, ST50824108, EN300-24413

Application

3,4,5-Trifluorophenol serves as a versatile building block in medicinal chemistry for synthesizing fluorinated drug candidates, leveraging its electron-withdrawing properties to modulate bioavailability. It is employed in agrochemical research to develop herbicides and pesticides with enhanced environmental stability. Additionally, this compound is used in materials science to engineer liquid crystals and polymers with tailored thermal/optical properties.

Safety and Hazards

GHS Hazard Statements

  • H301 (93.3%): Toxic if swallowed [Danger Acute toxicity, oral]
  • H312 (13.3%): Harmful in contact with skin [Warning Acute toxicity, dermal]
  • H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
  • H411 (95.6%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

Precautionary Statements

  • P260, P264, P270, P273, P280, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P391, P405, and P501

Hazard Classes and Categories

  • Acute Tox. 3 (93.8%)
  • Acute Tox. 4 (12.5%)
  • Skin Corr. 1B (97.9%)
  • Aquatic Chronic 2 (97.9%)

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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