4-Methoxy-<SUP>13</SUP>C, d<SUB>3</SUB>-benzoic acid-2,3,5,6-d<SUB>4</SUB> CAS 1202864-44-5

Purity 97%+In StockPharmaceutical Standards
CAS No.1202864-44-5
Molecular FormulaC7[13C]H7D7O3
Molecular Weight166.23 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

4-Methoxy-<SUP>13</SUP>C, d<SUB>3</SUB>-benzoic acid-2,3,5,6-d<SUB>4</SUB> CAS 1202864-44-5 chemical structure

Description

The assigned purity is verified by mass-balance and quantitative NMR (qNMR) approaches, with the expanded uncertainty reported at a 95% confidence level (k=2). Batch homogeneity and stability are independently assessed for every lot.

4-Methoxy-<SUP>13</SUP>C, d<SUB>3</SUB>-benzoic acid-2,3,5,6-d<SUB>4</SUB> (CAS 1202864-44-5), molecular formula C7[13C]H7D7O3 and molecular weight 166.23 g/mol, is a CATO reference standard with documented purity and traceability.

Structurally, 4-Methoxy-<SUP>13</SUP>C, d<SUB>3</SUB>-benzoic acid-2,3,5,6-d<SUB>4</SUB> (C7[13C]H7D7O3) contains deuterium isotope labeling, a carboxylic acid group, a hydroxyl group, an ether linkage, an aromatic ring system. The molecule exhibits a degree of unsaturation (DBE) of 5.5, corresponding to approximately 5 ring(s) or double-bond equivalent(s). With a molecular weight of 166.23 g/mol, it falls into the medium-molecular-weight range. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).

Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.

Physical & Chemical Properties

Molecular FormulaC7[13C]H7D7O3
Molecular Weight166.23 g/mol
AppearanceOff-white to pale yellow crystalline powder
Purity97%+
StorageStore at 2-8°C, keep sealed and dry
Solubility (reference)Soluble in methanol, ethanol, DMSO
StabilityMay oxidize slowly on prolonged air exposure; Hygroscopic; reseal immediately after opening
Degree of Unsaturation (DBE)5.5
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1990

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