(3-(3-Fluorophenyl)-1H-1,2,4-triazol-5-yl)methanamine CAS 944896-99-5

Purity 97%+In StockPharmaceutical Standards
CAS No.944896-99-5
Molecular FormulaC9H9FN4
Molecular Weight192.19 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

(3-(3-Fluorophenyl)-1H-1,2,4-triazol-5-yl)methanamine CAS 944896-99-5 chemical structure

Description

The occurrence of (3-(3-Fluorophenyl)-1H-1,2,4-triazol-5-yl)methanamine is closely related to a nitrogen-containing heterocyclic scaffold, a nitrile group, fluorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.

(3-(3-Fluorophenyl)-1H-1,2,4-triazol-5-yl)methanamine (CAS 944896-99-5), molecular formula C9H9FN4 and molecular weight 192.19 g/mol, is a CATO reference standard with documented purity and traceability.

Structurally, (3-(3-Fluorophenyl)-1H-1,2,4-triazol-5-yl)methanamine (C9H9FN4) contains a nitrogen-containing heterocyclic scaffold, a nitrile group, 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 192.19 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 FormulaC9H9FN4
Molecular Weight192.19 g/mol
AppearanceOff-white to pale yellow crystalline powder. (slight halide-like odor, faint amine-like odor)
Purity97%+
StorageStore at 2-8°C, protect from light, keep tightly closed to prevent evaporation
Solubility (reference)Soluble in DMSO, DMF, methanol
StabilityMay oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light
Degree of Unsaturation (DBE)7.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1987
Halogen ContentF-containing
Nitrogen Atoms4

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