Methyl 3-iodo-4-(pyrrolidin-1-yl)benzoate CAS 1131614-28-2

Purity 97%+In StockPharmaceutical Standards
CAS No.1131614-28-2
Molecular FormulaC12H14INO2
Molecular Weight331.15 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

Methyl 3-iodo-4-(pyrrolidin-1-yl)benzoate CAS 1131614-28-2 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-(pyrrolidin-1-yl)benzoate.

Methyl 3-iodo-4-(pyrrolidin-1-yl)benzoate (CAS 1131614-28-2), molecular formula C12H14INO2 and molecular weight 331.15 g/mol, is a CATO reference standard with documented purity and traceability.

Structurally, Methyl 3-iodo-4-(pyrrolidin-1-yl)benzoate (C12H14INO2) contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, 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 331.15 g/mol, it falls into the moderately-high-molecular-weight range. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.

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-(pyrrolidin-1-yl)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 FormulaC12H14INO2
Molecular Weight331.15 g/mol
AppearanceOff-white to pale yellow crystalline powder. (slight halide-like odor)
Purity97%+
StorageStore at 2-8°C, protect from light
Solubility (reference)Soluble in chloroform, dichloromethane, ethyl acetate, DMSO
StabilityMay oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Contains ester bond; hydrolyzes under strong alkaline conditions
Degree of Unsaturation (DBE)6.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1989
Halogen ContentI-containing
Nitrogen Atoms1

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