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Atomfair 3-Fluoroprop-1-yl toluene-4-sulphonate C10H13FO3S CAS 312-68-5

3-Fluoropropyl 4-methylbenzenesulfonate (CAS No. 312-68-5) is a high-purity sulfonate ester derivative with the molecular formula C10H13FO3S. This specialized fluorinated compound is widely utilized in organic synthesis, pharmaceutical research, and material science due to its reactive sulfonate group and fluorinated alkyl chain. Its well-defined structure (IUPAC name: 3-fluoropropyl 4-methylbenzenesulfonate) ensures consistent performance as an alkylating agent or intermediate in nucleophilic substitution reactions. Provided as a clear to pale-yellow liquid, it is characterized by its moisture sensitivity and should be stored under inert conditions. Ideal for researchers requiring precise fluorinated building blocks, this product is available in various packaging options with ≥95%…

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Description

3-Fluoropropyl 4-methylbenzenesulfonate (CAS No. 312-68-5) is a high-purity sulfonate ester derivative with the molecular formula C10H13FO3S. This specialized fluorinated compound is widely utilized in organic synthesis, pharmaceutical research, and material science due to its reactive sulfonate group and fluorinated alkyl chain. Its well-defined structure (IUPAC name: 3-fluoropropyl 4-methylbenzenesulfonate) ensures consistent performance as an alkylating agent or intermediate in nucleophilic substitution reactions. Provided as a clear to pale-yellow liquid, it is characterized by its moisture sensitivity and should be stored under inert conditions. Ideal for researchers requiring precise fluorinated building blocks, this product is available in various packaging options with ≥95% purity (GC).

Properties

  • CAS Number: 312-68-5
  • Complexity: 263
  • IUPAC Name: 3-fluoropropyl 4-methylbenzenesulfonate
  • InChI: InChI=1S/C10H13FO3S/c1-9-3-5-10(6-4-9)15(12,13)14-8-2-7-11/h3-6H,2,7-8H2,1H3
  • InChI Key: PYCKJIAEKJWSKM-UHFFFAOYSA-N
  • Exact Mass: 232.05694361
  • Molecular Formula: C10H13FO3S
  • Molecular Weight: 232.27
  • SMILES: CC1=CC=C(C=C1)S(=O)(=O)OCCCF
  • Topological: 51.8
  • Monoisotopic Mass: 232.05694361
  • Synonyms: 3-Fluoroprop-1-yl toluene-4-sulphonate, 695-356-2, 3-fluoropropyl 4-methylbenzenesulfonate, 312-68-5, 3-Fluoropropyl p-toluenesulfonate, 3-FLUOROPROPYL TOSYLATE, 3-Fluoro-1-propanol 1-tosylate, 3-Fluoropropyl p-toluenesulphonate, C10H13FO3S, fluoropropyl tosylate, MFCD01658062, 3-fluoropropyltosylate, SCHEMBL57036, NIOSH/DB7151500, DTXSID40422868, PYCKJIAEKJWSKM-UHFFFAOYSA-N, 3-fluoropropyl4-methylbenzenesulfonate, AKOS016006115, AS-10212, 3-fluoropropyl 4-methylbenzene-1-sulfonate, DB-379202, CS-0153014, DB71515000, toluene-4-sulfonic acid 3-fluoro-propyl ester, D94952, EN300-7398884, Benzenesulfonic acid, 4-methyl-, 3-fluoropropyl ester, 3-Fluoroprop-1-yl toluene-4-sulphonate;3-Fluoroprop-1-yl 4-methylbenzenesulphonate

Application

3-Fluoropropyl 4-methylbenzenesulfonate serves as a key intermediate in the synthesis of fluorinated pharmaceuticals and agrochemicals. Its sulfonate group facilitates nucleophilic displacement reactions, enabling the introduction of fluoropropyl motifs into target molecules. Researchers employ this compound in the development of PET radiotracers and bioactive molecules where fluorine substitution modulates metabolic stability. It is also investigated in materials science for modifying polymer properties.

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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