Hexyl Isothiocyanate CAS 4404-45-9

Purity 97%+In StockPharmaceutical Standards
CAS No.4404-45-9
Molecular FormulaC7H13NS
Molecular Weight143.25 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

Hexyl Isothiocyanate CAS 4404-45-9 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 Hexyl Isothiocyanate.

CATO supplies Hexyl Isothiocyanate (CAS 4404-45-9), a certified reference material (molecular formula C7H13NS, MW 143.25 g/mol) for analytical method development and quality control.

Structurally, Hexyl Isothiocyanate (C7H13NS) contains a nitrile group, sulfur-containing functionality. The molecule exhibits a degree of unsaturation (DBE) of 2.0, corresponding to approximately 2 ring(s) or double-bond equivalent(s). With a molecular weight of 143.25 g/mol, it falls into the low-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.

Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.

As a certified reference material (CRM), Hexyl Isothiocyanate 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 FormulaC7H13NS
Molecular Weight143.25 g/mol
Purity97%+
StorageStore at 2-8°C, protect from light
Solubility (reference)Soluble in methanol, acetonitrile, DMSO
StabilityLight-sensitive; avoid direct strong light
Degree of Unsaturation (DBE)2.0
CAS Registry Year (est.)1958
Nitrogen Atoms1
Sulfur Atoms1

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