4-Chloro-5-(trifluoromethyl)-1H-pyrrole-3-carbonitrile CAS 850547-85-2

Purity 97%+In StockPharmaceutical Standards
CAS No.850547-85-2
Molecular FormulaC6H2ClF3N2
Molecular Weight194.54 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

4-Chloro-5-(trifluoromethyl)-1H-pyrrole-3-carbonitrile CAS 850547-85-2 chemical structure

Description

The occurrence of 4-Chloro-5-(trifluoromethyl)-1H-pyrrole-3-carbonitrile is closely related to a nitrile group, fluorine/chlorine substitution, an aromatic ring system in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.

4-Chloro-5-(trifluoromethyl)-1H-pyrrole-3-carbonitrile (CAS 850547-85-2) is a high-purity analytical reference standard with the molecular formula C6H2ClF3N2 and a molecular weight of 194.54 g/mol.

Based on its molecular formula C6H2ClF3N2, 4-Chloro-5-(trifluoromethyl)-1H-pyrrole-3-carbonitrile contains a nitrile group, fluorine/chlorine substitution, an aromatic ring system; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 194.54 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.

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

As a certified reference material (CRM), 4-Chloro-5-(trifluoromethyl)-1H-pyrrole-3-carbonitrile meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.

Physical & Chemical Properties

Molecular FormulaC6H2ClF3N2
Molecular Weight194.54 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 DMSO, DMF, methanol
StabilityMay oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light
Degree of Unsaturation (DBE)5.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1987
Halogen ContentF/Cl-containing
Nitrogen Atoms2

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