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Atomfair Benzoic acid, 4-[4-[(1-oxo-2-propen-1-yl)oxy]butoxy]-, 4-cyanophenyl ester C21H19NO5 CAS 136902-63-1

(4-Cyanophenyl) 4-(4-prop-2-enoyloxybutoxy)benzoate (CAS No. 136902-63-1) is a high-purity synthetic ester compound with the molecular formula C21H19NO5. This specialized chemical features a benzoate core functionalized with a cyanophenyl group and a propenoyloxybutoxy side chain, offering unique reactivity for advanced organic synthesis and materials science applications. The compound is supplied as a solid with >95% purity (HPLC), ideal for research in liquid crystals, photoresponsive materials, or polymer modification. Its bifunctional structure enables covalent bonding via both the acrylate and benzoate moieties. Carefully packaged under inert gas to ensure stability, this product is intended for laboratory use only by qualified professionals.

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Description

(4-Cyanophenyl) 4-(4-prop-2-enoyloxybutoxy)benzoate (CAS No. 136902-63-1) is a high-purity synthetic ester compound with the molecular formula C21H19NO5. This specialized chemical features a benzoate core functionalized with a cyanophenyl group and a propenoyloxybutoxy side chain, offering unique reactivity for advanced organic synthesis and materials science applications. The compound is supplied as a solid with >95% purity (HPLC), ideal for research in liquid crystals, photoresponsive materials, or polymer modification. Its bifunctional structure enables covalent bonding via both the acrylate and benzoate moieties. Carefully packaged under inert gas to ensure stability, this product is intended for laboratory use only by qualified professionals.

Properties

  • CAS Number: 136902-63-1
  • Complexity: 536
  • IUPAC Name: (4-cyanophenyl) 4-(4-prop-2-enoyloxybutoxy)benzoate
  • InChI: InChI=1S/C21H19NO5/c1-2-20(23)26-14-4-3-13-25-18-11-7-17(8-12-18)21(24)27-19-9-5-16(15-22)6-10-19/h2,5-12H,1,3-4,13-14H2
  • InChI Key: CHTNMZRJDIKRPJ-UHFFFAOYSA-N
  • Exact Mass: 365.12632271
  • Molecular Formula: C21H19NO5
  • Molecular Weight: 365.4
  • SMILES: C=CC(=O)OCCCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C#N
  • Topological: 85.6
  • Monoisotopic Mass: 365.12632271
  • Synonyms: 136902-63-1, Benzoic acid, 4-[4-[(1-oxo-2-propen-1-yl)oxy]butoxy]-, 4-cyanophenyl ester, 4-Cyanophenyl 4-(4-(acryloyloxy)butoxy)benzoate, (4-cyanophenyl) 4-(4-prop-2-enoyloxybutoxy)benzoate, SCHEMBL9996975, 4-Cyanophenyl4-(4-(acryloyloxy)butoxy)benzoate, 4-[4-[(1-oxo-2-propen-1-yl)oxy]butoxy]-Benzoic acid, 4-cyanophenyl ester

Application

This compound serves as a key intermediate in liquid crystal synthesis, particularly for cyanophenyl-based mesogens. Researchers utilize its dual-reactive sites for creating crosslinked polymer networks with tailored optical properties. The material shows promise in developing advanced photoresponsive systems and functional coatings. Its structural features make it valuable for studying molecular alignment in anisotropic materials.

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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

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  • 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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