68696

Hexachlorobenzene-¹³C₆

PESTANAL^®, analytical standard

• Linear Formula: ¹³C₆Cl₆
• CAS Number: 93952-14-8
• Molecular Weight: 290.74
• NACRES: NA.24
• PubChem Substance ID: 329761085
• UNSPSC Code: 77101502
• MDL number: MFCD00144438

Properties

• grade: analytical standard
• Quality Level: 200
• isotopic purity: ≥99 atom % ¹³C
• product line: PESTANAL^®
• shelf life: limited shelf life, expiry date on the label
• application(s): agriculture; environmental
• format: neat
• mass shift: M+6
• SMILES string: Cl[13c]1[13c](Cl)[13c](Cl)[13c](Cl)[13c](Cl)[13c]1Cl
• InChI: 1S/C6Cl6/c7-1-2(8)4(10)6(12)5(11)3(1)9/i1+1,2+1,3+1,4+1,5+1,6+1
• InChI key: CKAPSXZOOQJIBF-IDEBNGHGSA-N

Description

General description

Hexachlorobenzene-¹³C₆ is an isotope-labeled analog of the organochlorine pesticide, hexachlorobenzene.

Application

Isotope-labeled compounds are increasingly used in isotope dilution mass spectrometry (IDMS) for the quantitative analysis of pesticides. The main advantage of using the IDMS technique is because isotope-labeled compounds have nearly the same physical properties as their non-labeled counterpart analog, and thus show identical behavior during the workup and sample preparation process. This helps in overcoming the problems of matrix effects generally encountered in the usual LC-MS/GC-MS analysis potentially resulting in biased results. By spiking the sample before workup with its isotope labeled analog, the loss of analyte that leads to matrix effects can be determined and compensated.

Legal Information

PESTANAL is a registered trademark of Merck KGaA, Darmstadt, Germany

Safety Information

• pictograms: GHS08,GHS09
• signalword: Danger
• hcodes: H350,H372,H410
• pcodes: P201 - P202 - P260 - P264 - P273 - P308 + P313
• Hazard Classifications: Aquatic Acute 1 - Aquatic Chronic 1 - Carc. 1B - STOT RE 1
• Storage Class: 6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects
• wgk: WGK 3
• flash_point_f: Not applicable
• flash_point_c: Not applicable