2-Iodo-5-(trifluoromethyl)benzonitrile CAS 868166-20-5

Purity 97%+In StockPharmaceutical Standards
CAS No.868166-20-5
Molecular FormulaC8H3F3IN
Molecular Weight297.02 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

2-Iodo-5-(trifluoromethyl)benzonitrile CAS 868166-20-5 chemical structure

Description

The occurrence of 2-Iodo-5-(trifluoromethyl)benzonitrile is closely related to a nitrogen-containing heterocyclic scaffold, a nitrile group, fluorine/iodine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.

2-Iodo-5-(trifluoromethyl)benzonitrile (CAS 868166-20-5) is a high-purity analytical reference standard with the molecular formula C8H3F3IN and a molecular weight of 297.02 g/mol.

The molecular framework of 2-Iodo-5-(trifluoromethyl)benzonitrile (C8H3F3IN) is characterized by a nitrogen-containing heterocyclic scaffold, a nitrile group, fluorine/iodine 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. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).

Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.

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 FormulaC8H3F3IN
Molecular Weight297.02 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
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.)1987
Halogen ContentF/I-containing
Nitrogen Atoms1

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