3-Carboxy-4-fluorophenylisothiocyanate CAS 1027513-02-5

Purity 97%+In StockPharmaceutical Standards
CAS No.1027513-02-5
Molecular FormulaC8H4FNO2S
Molecular Weight197.19 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

3-Carboxy-4-fluorophenylisothiocyanate CAS 1027513-02-5 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 3-Carboxy-4-fluorophenylisothiocyanate.

3-Carboxy-4-fluorophenylisothiocyanate (CAS 1027513-02-5) is a high-purity analytical reference standard with the molecular formula C8H4FNO2S and a molecular weight of 197.19 g/mol.

The molecular framework of 3-Carboxy-4-fluorophenylisothiocyanate (C8H4FNO2S) is characterized by a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine substitution. 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 aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).

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 3-Carboxy-4-fluorophenylisothiocyanate 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 FormulaC8H4FNO2S
Molecular Weight197.19 g/mol
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; Contains ester bond; hydrolyzes under strong alkaline conditions
Degree of Unsaturation (DBE)7.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1988
Halogen ContentF-containing
Nitrogen Atoms1
Sulfur Atoms1

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