2-(Chloromethyl)-3-cyano-5-(difluoromethyl)-4-iodopyridine CAS 1806979-55-4

Purity 97%+In StockPharmaceutical Standards
CAS No.1806979-55-4
Molecular FormulaC8H4ClF2IN2
Molecular Weight328.49 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

2-(Chloromethyl)-3-cyano-5-(difluoromethyl)-4-iodopyridine CAS 1806979-55-4 chemical structure

Description

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.

2-(Chloromethyl)-3-cyano-5-(difluoromethyl)-4-iodopyridine (CAS 1806979-55-4), molecular formula C8H4ClF2IN2 and molecular weight 328.49 g/mol, is a CATO reference standard with documented purity and traceability.

Structurally, 2-(Chloromethyl)-3-cyano-5-(difluoromethyl)-4-iodopyridine (C8H4ClF2IN2) contains a nitrogen-containing heterocyclic scaffold, a nitrile group, fluorine/chlorine/iodine substitution. The molecule exhibits a degree of unsaturation (DBE) of 6.0, corresponding to approximately 6 ring(s) or double-bond equivalent(s). With a molecular weight of 328.49 g/mol, it falls into the moderately-high-molecular-weight range. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.

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 FormulaC8H4ClF2IN2
Molecular Weight328.49 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
Solubility (reference)Soluble in DMSO, DMF, methanol
StabilityMay oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light
Degree of Unsaturation (DBE)6.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1995
Halogen ContentF/Cl/I-containing
Nitrogen Atoms2

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