1-chloro-4-(2-isocyanatoethyl)benzene CAS 55121-08-9

Purity 97%+In StockPharmaceutical Standards
CAS No.55121-08-9
Molecular FormulaC9H8ClNO
Molecular Weight181.62 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

1-chloro-4-(2-isocyanatoethyl)benzene CAS 55121-08-9 chemical structure

Description

Compared with other compounds in its class, the molecular weight of 181.62 g/mol gives 1-chloro-4-(2-isocyanatoethyl)benzene distinctive chromatographic separation conditions and mass-spectrometry parameter settings.

1-chloro-4-(2-isocyanatoethyl)benzene (CAS 55121-08-9), molecular formula C9H8ClNO and molecular weight 181.62 g/mol, is a CATO reference standard with documented purity and traceability.

Structurally, 1-chloro-4-(2-isocyanatoethyl)benzene (C9H8ClNO) contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, chlorine 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 181.62 g/mol, it falls into the medium-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.

CATO manufactures 1-chloro-4-(2-isocyanatoethyl)benzene under ISO 17034:2016 accreditation with dual CNAS and ANAB accreditation. Each batch is characterized by orthogonal methods and supplied with a full Certificate of Analysis (COA), ensuring metrological traceability.

Physical & Chemical Properties

Molecular FormulaC9H8ClNO
Molecular Weight181.62 g/mol
AppearanceOff-white to pale yellow crystalline powder. (slight halide-like odor, faint amine-like odor)
Purity97%+
StorageStore at 2-8°C, protect from light, keep tightly closed to prevent evaporation
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)6.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1972
Halogen ContentCl-containing
Nitrogen Atoms1

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