1-Nitro-4-(3,3,3-trifluoro-1-propyn-1-yl)-benzene CAS 1983-22-8

Purity 97%+In StockPharmaceutical Standards
CAS No.1983-22-8
Molecular FormulaC9H4F3NO2
Molecular Weight215.13 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

1-Nitro-4-(3,3,3-trifluoro-1-propyn-1-yl)-benzene CAS 1983-22-8 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 1-Nitro-4-(3,3,3-trifluoro-1-propyn-1-yl)-benzene.

1-Nitro-4-(3,3,3-trifluoro-1-propyn-1-yl)-benzene (CAS 1983-22-8), molecular formula C9H4F3NO2 and molecular weight 215.13 g/mol, is a CATO reference standard with documented purity and traceability.

The molecular framework of 1-Nitro-4-(3,3,3-trifluoro-1-propyn-1-yl)-benzene (C9H4F3NO2) is characterized by a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine substitution. In reversed-phase chromatography, its retention is governed primarily by the protonation state of its nitrogen-containing groups, which provides a practical basis for HPLC-UV/DAD or LC-MS method development. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.

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 FormulaC9H4F3NO2
Molecular Weight215.13 g/mol
AppearanceOff-white to pale yellow crystalline powder. (slight halide-like odor, faint amine-like odor, low volatility)
Purity97%+
StorageStore at 2-8°C, protect from light, keep tightly closed to prevent evaporation
Solubility (reference)Soluble in methanol, acetonitrile, DMSO, water (slightly soluble)
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.)1957
Halogen ContentF-containing
Nitrogen Atoms1

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