2-(2-(2-Chloro-3-(2-(3-(3-isothiocyanatopropyl)-1,1-dimethyl-1,3-dihydro-2H-benzo[e]indol-2-ylidene)ethylidene)cyclohex-1-en-1-yl)vinyl)-3-(3-isothiocyanatopropyl)-1,1-dimethyl-1H-benzo[e]indol-3-ium bromide CAS 162411-31-6

Purity 97%+In StockPharmaceutical Standards
CAS No.162411-31-6
Molecular FormulaC46H46ClN4S2
Molecular WeightN/A
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

2-(2-(2-Chloro-3-(2-(3-(3-isothiocyanatopropyl)-1,1-dimethyl-1,3-dihydro-2H-benzo[e]indol-2-ylidene)ethylidene)cyclohex-1-en-1-yl)vinyl)-3-(3-isothiocyanatopropyl)-1,1-dimethyl-1H-benzo[e]indol-3-ium bromide CAS 162411-31-6 chemical structure

Description

The occurrence of 2-(2-(2-Chloro-3-(2-(3-(3-isothiocyanatopropyl)-1,1-dimethyl-1,3-dihydro-2H-benzo[e]indol-2-ylidene)ethylidene)cyclohex-1-en-1-yl)vinyl)-3-(3-isothiocyanatopropyl)-1,1-dimethyl-1H-benzo[e]indol-3-ium bromide is closely related to a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, chlorine/bromine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.

CATO supplies 2-(2-(2-Chloro-3-(2-(3-(3-isothiocyanatopropyl)-1,1-dimethyl-1,3-dihydro-2H-benzo[e]indol-2-ylidene)ethylidene)cyclohex-1-en-1-yl)vinyl)-3-(3-isothiocyanatopropyl)-1,1-dimethyl-1H-benzo[e]indol-3-ium bromide (CAS 162411-31-6), a certified reference material (molecular formula C46H46ClN4S2Br, MW 834.38 g/mol) for analytical method development and quality control.

Based on its molecular formula C46H46ClN4S2Br, 2-(2-(2-Chloro-3-(2-(3-(3-isothiocyanatopropyl)-1,1-dimethyl-1,3-dihydro-2H-benzo[e]indol-2-ylidene)ethylidene)cyclohex-1-en-1-yl)vinyl)-3-(3-isothiocyanatopropyl)-1,1-dimethyl-1H-benzo[e]indol-3-ium bromide contains a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, chlorine/bromine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 834.38 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. 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 2-(2-(2-Chloro-3-(2-(3-(3-isothiocyanatopropyl)-1,1-dimethyl-1,3-dihydro-2H-benzo[e]indol-2-ylidene)ethylidene)cyclohex-1-en-1-yl)vinyl)-3-(3-isothiocyanatopropyl)-1,1-dimethyl-1H-benzo[e]indol-3-ium bromide 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 FormulaC46H46ClN4S2 Br
Molecular Weight834.38 g/mol
Purity97%+
StorageStore at room temperature, protect from light
Solubility (reference)Soluble in DMSO, DMF, methanol
StabilityMay oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light
Degree of Unsaturation (DBE)25.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)2003
Halogen ContentCl/Br-containing
Nitrogen Atoms4
Sulfur Atoms2

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