3-Chloro-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-one CAS 21413-77-4

Purity 97%+In StockPharmaceutical Standards
CAS No.21413-77-4
Molecular FormulaC11H11ClO
Molecular Weight194.66 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

3-Chloro-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-one CAS 21413-77-4 chemical structure

Description

Compared with other compounds in its class, the molecular weight of 194.66 g/mol gives 3-Chloro-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-one distinctive chromatographic separation conditions and mass-spectrometry parameter settings.

3-Chloro-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-one (CAS 21413-77-4), molecular formula C11H11ClO and molecular weight 194.66 g/mol, is a CATO reference standard with documented purity and traceability.

The molecular framework of 3-Chloro-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-one (C11H11ClO) is characterized by a hydroxyl group, an ether linkage, chlorine substitution, an aromatic ring system. In reversed-phase chromatography, its retention is governed primarily by its high hydrophobicity (logP), which provides a practical basis for HPLC-UV/DAD or LC-MS method development. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.

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.

As a certified reference material (CRM), 3-Chloro-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-one 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 FormulaC11H11ClO
Molecular Weight194.66 g/mol
Purity97%+
StorageStore at 2-8°C, protect from light, keep tightly closed to prevent evaporation
Solubility (reference)Soluble in chloroform, dichloromethane, ethyl acetate, DMSO
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.)1963
Halogen ContentCl-containing

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