2-((tert-Butoxycarbonyl)amino)-3-(trifluoromethyl)benzoic acid CAS 141940-27-4

Purity 97%+In StockPharmaceutical Standards
CAS No.141940-27-4
Molecular FormulaC13H14F3NO4
Molecular Weight305.25 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

2-((tert-Butoxycarbonyl)amino)-3-(trifluoromethyl)benzoic acid CAS 141940-27-4 chemical structure

Description

Under current pharmacopoeial and regulatory frameworks, quality-control requirements for this class of reference material explicitly involve the control of targets including 2-((tert-Butoxycarbonyl)amino)-3-(trifluoromethyl)benzoic acid.

2-((tert-Butoxycarbonyl)amino)-3-(trifluoromethyl)benzoic acid (CAS 141940-27-4) is a high-purity analytical reference standard with the molecular formula C13H14F3NO4 and a molecular weight of 305.25 g/mol.

Based on its molecular formula C13H14F3NO4, 2-((tert-Butoxycarbonyl)amino)-3-(trifluoromethyl)benzoic acid contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 305.25 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.

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

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.

Physical & Chemical Properties

Molecular FormulaC13H14F3NO4
Molecular Weight305.25 g/mol
AppearanceOff-white to pale yellow crystalline powder. (slight halide-like odor, low volatility)
Purity97%+
StorageStore at 2-8°C, protect from light, keep sealed and dry
Solubility (reference)Soluble in methanol, acetonitrile, DMSO, water (slightly soluble)
StabilityMay oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions
Degree of Unsaturation (DBE)6.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1997
Halogen ContentF-containing
Nitrogen Atoms1

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