C50O5096NC 5416-93-3 1-Isocyanato-4-methoxybenzene Benzene, 1-isocyanato-4-methoxy- 4-Methoxyphenyl isocyanate p-Anisyl isocyanate EINECS 226-513-1 Isocyanic acid, p-methoxyphenyl ester p-Methoxyphenyl isocyanate NSC 7321 UNII-C50O5096NC CAS 5416-93-3

Purity 97%+In StockPharmaceutical Standards
CAS No.5416-93-3
Molecular FormulaC8H13NO2
Molecular Weight155.19 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

C50O5096NC
5416-93-3
1-Isocyanato-4-methoxybenzene
Benzene, 1-isocyanato-4-methoxy-
4-Methoxyphenyl isocyanate
p-Anisyl isocyanate
EINECS 226-513-1
Isocyanic acid, p-methoxyphenyl ester
p-Methoxyphenyl isocyanate
NSC 7321
UNII-C50O5096NC CAS 5416-93-3 chemical structure

Description

The occurrence of C50O5096NC 5416-93-3 1-Isocyanato-4-methoxybenzene Benzene, 1-isocyanato-4-methoxy- 4-Methoxyphenyl isocyanate p-Anisyl isocyanate EINECS 226-513-1 Isocyanic acid, p-methoxyphenyl ester p-Methoxyphenyl isocyanate NSC 7321 UNII-C50O5096NC is closely related to an amino-acid-derived structure, an amide group, a hydroxyl group, an ether linkage in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.

C50O5096NC 5416-93-3 1-Isocyanato-4-methoxybenzene Benzene, 1-isocyanato-4-methoxy- 4-Methoxyphenyl isocyanate p-Anisyl isocyanate EINECS 226-513-1 Isocyanic acid, p-methoxyphenyl ester p-Methoxyphenyl isocyanate NSC 7321 UNII-C50O5096NC (CAS 5416-93-3) is a high-purity analytical reference standard with the molecular formula C8H13NO2 and a molecular weight of 155.19 g/mol.

The molecular framework of C50O5096NC 5416-93-3 1-Isocyanato-4-methoxybenzene Benzene, 1-isocyanato-4-methoxy- 4-Methoxyphenyl isocyanate p-Anisyl isocyanate EINECS 226-513-1 Isocyanic acid, p-methoxyphenyl ester p-Methoxyphenyl isocyanate NSC 7321 UNII-C50O5096NC (C8H13NO2) is characterized by an amino-acid-derived structure, an amide group, a hydroxyl group, an ether linkage. In reversed-phase chromatography, its retention is governed primarily by the protonation state of its nitrogen-containing groups, which provides a practical basis for HPLC-UV/DAD or LC-MS method development. 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).

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.

The assigned purity is verified by mass-balance and quantitative NMR (qNMR) approaches, with the expanded uncertainty reported at a 95% confidence level (k=2). Batch homogeneity and stability are independently assessed for every lot.

Physical & Chemical Properties

Molecular FormulaC8H13NO2
Molecular Weight155.19 g/mol
AppearanceWhite to pale yellow crystalline powder. (faint amine-like odor)
Purity97%+
StorageStore at 2-8°C, protect from light
Solubility (reference)Soluble in methanol, acetonitrile, DMSO, water (slightly soluble)
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.)1958
Nitrogen Atoms1

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