Methyl 3-iodo-4-(trifluoromethyl)benzoate CAS 1197357-94-0

Purity 97%+In StockPharmaceutical Standards
CAS No.1197357-94-0
Molecular FormulaC9H6F3IO2
Molecular Weight330.04 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

Methyl 3-iodo-4-(trifluoromethyl)benzoate CAS 1197357-94-0 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 Methyl 3-iodo-4-(trifluoromethyl)benzoate.

CATO supplies Methyl 3-iodo-4-(trifluoromethyl)benzoate (CAS 1197357-94-0), a certified reference material (molecular formula C9H6F3IO2, MW 330.04 g/mol) for analytical method development and quality control.

Structurally, Methyl 3-iodo-4-(trifluoromethyl)benzoate (C9H6F3IO2) contains a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine/iodine substitution, an aromatic ring system. The molecule exhibits a degree of unsaturation (DBE) of 5.0, corresponding to approximately 5 ring(s) or double-bond equivalent(s). With a molecular weight of 330.04 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.

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.

As a certified reference material (CRM), Methyl 3-iodo-4-(trifluoromethyl)benzoate 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 FormulaC9H6F3IO2
Molecular Weight330.04 g/mol
AppearanceOff-white to pale yellow crystalline powder. (slight halide-like odor, low volatility)
Purity97%+
StorageStore at room temperature
Solubility (reference)Soluble in methanol, acetonitrile, DMSO, water (slightly soluble)
StabilityMay oxidize slowly on prolonged air exposure; Contains ester bond; hydrolyzes under strong alkaline conditions
Degree of Unsaturation (DBE)5.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1989
Halogen ContentF/I-containing

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