622-58-2 4-tolyl isocyanate TMI para-tolyl monoisocyanate p-TMI 4-Tol-NCO Isocyanic acid, p-tolyl ester p-tolylmonoisocyanate PTI 4-Isocyanatotoluene 4-Methylphenyl isocyanate p-Isocyanatotoluene p-Methylphenyl isocyanate p-Toluene isocyanate p-Tolyl isocyanate 1-isocyanato-4-methylbenzene CHEBI:53732 CAS 622-58-2

Purity 97%+In StockPharmaceutical Standards
CAS No.622-58-2
Molecular FormulaC8H13NO
Molecular Weight139.19 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

622-58-2
4-tolyl isocyanate
TMI
para-tolyl monoisocyanate
p-TMI
4-Tol-NCO
Isocyanic acid, p-tolyl ester
p-tolylmonoisocyanate
PTI
4-Isocyanatotoluene
4-Methylphenyl isocyanate
p-Isocyanatotoluene
p-Methylphenyl isocyanate
p-Toluene isocyanate
p-Tolyl isocyanate
1-isocyanato-4-methylbenzene
CHEBI:53732 CAS 622-58-2 chemical structure

Description

Based on its molecular formula C8H13NO, 622-58-2 4-tolyl isocyanate TMI para-tolyl monoisocyanate p-TMI 4-Tol-NCO Isocyanic acid, p-tolyl ester p-tolylmonoisocyanate PTI 4-Isocyanatotoluene 4-Methylphenyl isocyanate p-Isocyanatotoluene p-Methylphenyl isocyanate p-Toluene isocyanate p-Tolyl isocyanate 1-isocyanato-4-methylbenzene CHEBI:53732 contains an amide group, a hydroxyl group, an ether linkage; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 139.19 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).

622-58-2 4-tolyl isocyanate TMI para-tolyl monoisocyanate p-TMI 4-Tol-NCO Isocyanic acid, p-tolyl ester p-tolylmonoisocyanate PTI 4-Isocyanatotoluene 4-Methylphenyl isocyanate p-Isocyanatotoluene p-Methylphenyl isocyanate p-Toluene isocyanate p-Tolyl isocyanate 1-isocyanato-4-methylbenzene CHEBI:53732 (CAS 622-58-2) is a high-purity analytical reference standard with the molecular formula C8H13NO and a molecular weight of 139.19 g/mol.

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), 622-58-2 4-tolyl isocyanate TMI para-tolyl monoisocyanate p-TMI 4-Tol-NCO Isocyanic acid, p-tolyl ester p-tolylmonoisocyanate PTI 4-Isocyanatotoluene 4-Methylphenyl isocyanate p-Isocyanatotoluene p-Methylphenyl isocyanate p-Toluene isocyanate p-Tolyl isocyanate 1-isocyanato-4-methylbenzene CHEBI:53732 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 FormulaC8H13NO
Molecular Weight139.19 g/mol
Purity97%+
StorageStore at 2-8°C, protect from light
Solubility (reference)Soluble in methanol, acetonitrile, DMSO, water (slightly soluble)
StabilityLight-sensitive; avoid direct strong light
Degree of Unsaturation (DBE)3.0
UV AbsorptionUV-absorbing
CAS Registry Year (est.)1957
Nitrogen Atoms1

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