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Atomfair 1-Bromo-4-(trifluoromethyl)cyclohexane C7H10BrF3 CAS 30129-20-5

1-Bromo-4-(trifluoromethyl)cyclohexane (CAS No. 30129-20-5) is a high-purity halogenated cyclohexane derivative with the molecular formula C7H10BrF3. This specialized organofluorine compound features a bromine substituent at the 1-position and a trifluoromethyl group at the 4-position of the cyclohexane ring, offering unique reactivity for advanced synthetic applications. Available in >98% purity (GC), it is supplied as a clear, colorless to pale yellow liquid with a characteristic halogenated odor (boiling point ~150-155°C). Suitable for use as a versatile building block in pharmaceutical intermediates, agrochemical synthesis, and materials science research. Packaged under inert gas in amber glass bottles to ensure stability. Technical specifications include: Molecular…

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Description

1-Bromo-4-(trifluoromethyl)cyclohexane (CAS No. 30129-20-5) is a high-purity halogenated cyclohexane derivative with the molecular formula C7H10BrF3. This specialized organofluorine compound features a bromine substituent at the 1-position and a trifluoromethyl group at the 4-position of the cyclohexane ring, offering unique reactivity for advanced synthetic applications. Available in >98% purity (GC), it is supplied as a clear, colorless to pale yellow liquid with a characteristic halogenated odor (boiling point ~150-155°C). Suitable for use as a versatile building block in pharmaceutical intermediates, agrochemical synthesis, and materials science research. Packaged under inert gas in amber glass bottles to ensure stability. Technical specifications include: Molecular Weight: 231.06 g/mol, Density: ~1.5 g/cm3, Refractive Index: nD20 ~1.45. Store at 2-8°C in a well-ventilated area away from strong oxidizers.

Properties

  • CAS Number: 30129-20-5
  • Complexity: 124
  • IUPAC Name: 1-bromo-4-(trifluoromethyl)cyclohexane
  • InChI: InChI=1S/C7H10BrF3/c8-6-3-1-5(2-4-6)7(9,10)11/h5-6H,1-4H2
  • InChI Key: CTEBWBSBKSFIMN-UHFFFAOYSA-N
  • Exact Mass: 229.99180
  • Molecular Formula: C7H10BrF3
  • Molecular Weight: 231.05
  • SMILES: C1CC(CCC1C(F)(F)F)Br
  • Monoisotopic Mass: 229.99180
  • Synonyms: 1-bromo-4-(trifluoromethyl)cyclohexane, 30129-20-5, 829-775-0, MFCD20410249, Trifluormethylcyclohexylbromid, SCHEMBL17892081, CTEBWBSBKSFIMN-UHFFFAOYSA-N, FBA12920, AKOS014081850, PS-16475, SY217636, CS-0245709, EN300-309543, F70990

Application

This brominated trifluoromethyl cyclohexane serves as a key intermediate in the synthesis of fluorinated pharmaceutical compounds, particularly in the development of CNS-active molecules. Its unique structure facilitates ring-opening reactions and nucleophilic substitutions in medicinal chemistry applications. The compound is also employed in materials science for creating fluorinated polymers with enhanced chemical resistance. Researchers utilize it as a precursor for organometallic reagents in cross-coupling reactions.

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%)

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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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