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Application Area
Environmental
Environmental

Stable isotope-labeled compounds are used as environmental pollutant standards for the detection of air, water, soil, sediment and food.

Clinical diagnostic
Clinical diagnostic

In addition to treating various diseases, isotopes are used for imaging, diagnosis, and newborn screening.

Organic Chemistry
Organic Chemistry

Small molecule compounds labeled with stable isotopes can be used as chemical reference for chemical identification, qualitative, quantitative, detection, etc. Various types of NMR solvents can be used to study the structure, reaction mechanism and reaction kinetics of compounds.

Metabolic Research
Metabolic Research

Stable isotope labeling allows researchers to study metabolic pathways in vivo in a safe manner.

4-Hydroxybenzoic acid-[13C6]

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General Information
Catalog: BLP-008249
CAS: 287399-29-5
Molecular Formula: C[13C]6H6O3
Molecular Weight: 144.08
Chemical Structure
4-Hydroxybenzoic acid-[13C6]
Description 4-Hydroxybenzoic acid-[13C6] is the labelled analogue of 4-Hydroxybenzoic acid, which is an impurity of Aspirin.
Synonyms 4-Hydroxybenzoic acid-ring-13C6; 4-Hydroxybenzoic-1,2,3,4,5,6-13C6 Acid; p-Salicylic Acid-13C6; 4-Carboxyphenol-13C6; Paraben-acid-13C6; p-Carboxyphenol-13C6; p-Hydroxybenzoic Acid-13C6; NSC 4961-13C6; USP Salicylic Acid Related Compound A-13C6; 4-Hydroxybenzoic acid-(phenyl-13C6)
IUPAC Name 4-hydroxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carboxylic acid
Related CAS 99-96-7 (unlabelled)
Isomeric SMILES [13CH]1=[13CH][13C](=[13CH][13CH]=[13C]1C(=O)O)O
Canonical SMILES C1=CC(=CC=C1C(=O)O)O
InChI InChI=1S/C7H6O3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H,(H,9,10)/i1+1,2+1,3+1,4+1,5+1,6+1
InChI Key FJKROLUGYXJWQN-IDEBNGHGSA-N
Melting Point 213-215°C
Purity ≥98%; ≥99% atom 13C
Solubility Slightly soluble in DMSO, Methanol
Appearance White to Off-white Solid
Storage Store at 2-8°C under inert atmosphere
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