287399-29-5

Basic information

• Product Name: 4-Hydroxybenzoic-1,2,3,4,5,6-13C6 Acid
• Synonyms: 4-Hydroxybenzoic-1,2,3,4,5,6-13C6 Acid;4-Hydroxybenzoic acid-(phenyl-13C6) ;FJKROLUGYXJWQN-IDEBNGHGSA-N
• CAS NO: 287399-29-5
• Molecular Formula: C7H6O3
• Molecular Weight: 144.17474
• Mol File: 287399-29-5.mol
• Article Data: 1

Chemical Properties

• Appearance: /
• Storage Temp.: Refrigerator, under inert atmosphere
• Solubility: DMSO (Slightly), Methanol (Slightly)
• CAS DataBase Reference: 4-Hydroxybenzoic-1,2,3,4,5,6-13C6 Acid(CAS DataBase Reference)
• NIST Chemistry Reference: 4-Hydroxybenzoic-1,2,3,4,5,6-13C6 Acid(287399-29-5)
• EPA Substance Registry System: 4-Hydroxybenzoic-1,2,3,4,5,6-13C6 Acid(287399-29-5)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36
• Hazardous Substances Data: 287399-29-5(Hazardous Substances Data)

Usage

Uses

4-Hydroxybenzoic-1,2,3,4,5,6-13C6 Acid is the isotope labelled analog of 4-Hydroxybenzoic Acid (S088120); the Impurity A of Acetylsalicylic Acid.

Upstream product

• 56-23-5 tetrachloromethane 
• 89059-34-7 [¹³C₆]phenol 

Relevant articles and documents

Synthesis method of p-hydroxybenzoic acid marked with stable isotope 13C or D

The invention relates to a synthesis method of p-hydroxybenzoic acid marked with a stable isotope 13C or D. The method includes the following steps of firstly, adding the stable isotope into a reactor to mark phenol and promoter, sequentially adding an NaOH water solution and a main catalyst over stirring, continuing stirring, and adding carbon tetrachloride for heating reaction; secondly, conducting suction filtration, acidification, extraction, condensation and recrystallization to obtain a target product after reaction ends. Compared with the prior art, the method has the advantages that the method is simple in operation process, mild in reaction condition, free of high temperature and high pressure and suitable for synthesis of a stable isotope marked agent, the alignment selectivity of the obtained product reaches 100%, no subsequent chiral separation is needed, the purification process is simple and convenient, the chemical purity reaches 99% or above, and the isotopic abundance is 99 atom% or above.