Methyl 3-amino-7-(trifluoromethyl)benzo[b]thiophene-2-carboxylate CAS 2379918-54-2

Purity 97%+In StockPharmaceutical Standards
CAS No.2379918-54-2
Molecular FormulaC11H8F3NO2S
Molecular Weight275.25 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

Methyl 3-amino-7-(trifluoromethyl)benzo[b]thiophene-2-carboxylate CAS 2379918-54-2 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 Methyl 3-amino-7-(trifluoromethyl)benzo[b]thiophene-2-carboxylate.

Methyl 3-amino-7-(trifluoromethyl)benzo[b]thiophene-2-carboxylate (CAS 2379918-54-2) is a high-purity analytical reference standard with the molecular formula C11H8F3NO2S and a molecular weight of 275.25 g/mol.

Structurally, Methyl 3-amino-7-(trifluoromethyl)benzo[b]thiophene-2-carboxylate (C11H8F3NO2S) contains a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 7.0, corresponding to approximately 7 ring(s) or double-bond equivalent(s). With a molecular weight of 275.25 g/mol, it falls into the medium-molecular-weight range. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.

This reference standard is suitable for quantitative analysis on major chromatographic platforms including HPLC, GC, LC-MS/MS, and GC-MS, serving as an external calibration standard or a system suitability test reference material.

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 FormulaC11H8F3NO2S
Molecular Weight275.25 g/mol
Purity97%+
StorageStore at 2-8°C, protect from light, keep tightly closed to prevent evaporation
Solubility (reference)Soluble in chloroform, dichloromethane, ethyl acetate, DMSO
StabilityMay oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Contains ester bond; hydrolyzes under strong alkaline conditions
Degree of Unsaturation (DBE)7.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1999
Halogen ContentF-containing
Nitrogen Atoms1
Sulfur Atoms1

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