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CS-W001157 4
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4-Acetyl-1-naphthoic acid

  • CAS No. 131986-05-5

  • Cat. No. CS-0131552
  • Purity≥98%
  • MDL No.MFCD24480081

*For research and further manufacturing use only, not for direct human use.

4-Acetyl-1-naphthoic acid|CS-0131552

Structure of 131986-05-5

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General Information

  • CAS No. 131986-05-5
  • Cat. No. CS-0131552
  • Purity ≥98%
  • MDL No. MFCD24480081
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₀O₃
  • Molecular Weight 214.22
  • Synonym(s) 4-Acetylnaphthalene-1-carboxylic acid
  • SMILES O=C(C1=C2C=CC=CC2=C(C(C)=O)C=C1)O

Description

4-Acetyl-1-naphthoic acid features a naphthalene core with strategically positioned acetyl and carboxylic acid groups, enabling its use in constructing complex aromatic scaffolds. The acetyl moiety offers a handle for nucleophilic substitution or further functionalization, while the carboxylic acid facilitates derivatization via esterification or amidation. This compound serves as a key intermediate in the synthesis of bioactive molecules and advanced materials.

Application

4-Acetyl-1-naphthoic acid serves as a versatile building block in synthetic organic chemistry, enabling the construction of functionalized naphthalene scaffolds. Its dual functionality—carboxylic acid and acetyl group—facilitates diverse transformations including esterification, amidation, and electrophilic substitution. The molecule exhibits good bench stability and is readily purified by recrystallization, supporting its use in multi-step syntheses for pharmaceutical intermediates and advanced materials.

Safety Information

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GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   54.37
  • LogP   2.7406
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   2

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