3-[4-(iodomethyl)phenyl]-3-(trifluoromethyl)diazirine CAS 95758-92-2

Purity 97%+In StockPharmaceutical Standards
CAS No.95758-92-2
Molecular FormulaC9H12F3IN2
Molecular Weight332.10 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

3-[4-(iodomethyl)phenyl]-3-(trifluoromethyl)diazirine CAS 95758-92-2 chemical structure

Description

The occurrence of 3-[4-(iodomethyl)phenyl]-3-(trifluoromethyl)diazirine is closely related to a nitrile group, fluorine/iodine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.

CATO supplies 3-[4-(iodomethyl)phenyl]-3-(trifluoromethyl)diazirine (CAS 95758-92-2), a certified reference material (molecular formula C9H12F3IN2, MW 332.10 g/mol) for analytical method development and quality control.

Structurally, 3-[4-(iodomethyl)phenyl]-3-(trifluoromethyl)diazirine (C9H12F3IN2) contains a nitrile group, fluorine/iodine substitution. The molecule exhibits a degree of unsaturation (DBE) of 3.0, corresponding to approximately 3 ring(s) or double-bond equivalent(s). With a molecular weight of 332.10 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), 3-[4-(iodomethyl)phenyl]-3-(trifluoromethyl)diazirine 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 FormulaC9H12F3IN2
Molecular Weight332.10 g/mol
AppearanceWhite 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)3.0
UV AbsorptionUV-absorbing
CAS Registry Year (est.)1984
Halogen ContentF/I-containing
Nitrogen Atoms2

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