2-Ethynyl-6-fluorobenzonitrile CAS 1233509-91-5

Purity 97%+In StockPharmaceutical Standards
CAS No.1233509-91-5
Molecular FormulaC9H4FN
Molecular Weight145.13 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

2-Ethynyl-6-fluorobenzonitrile CAS 1233509-91-5 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-Ethynyl-6-fluorobenzonitrile.

2-Ethynyl-6-fluorobenzonitrile (CAS 1233509-91-5) is a high-purity analytical reference standard with the molecular formula C9H4FN and a molecular weight of 145.13 g/mol.

Structurally, 2-Ethynyl-6-fluorobenzonitrile (C9H4FN) contains a nitrogen-containing heterocyclic scaffold, a nitrile group, fluorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 8.0, corresponding to approximately 8 ring(s) or double-bond equivalent(s). With a molecular weight of 145.13 g/mol, it falls into the low-molecular-weight range. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).

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 FormulaC9H4FN
Molecular Weight145.13 g/mol
Purity97%+
StorageStore at 2-8°C, protect from light, keep tightly closed to prevent evaporation
Solubility (reference)Soluble in methanol, acetonitrile, DMSO
StabilityMay oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light
Degree of Unsaturation (DBE)8.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1990
Halogen ContentF-containing
Nitrogen Atoms1

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