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33367

Supelco

Methyl-pentachlorophenylsulfide

PESTANAL®, analytical standard

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About This Item

Empirical Formula (Hill Notation):
C7H3Cl5S
CAS Number:
1825-19-0
Molecular Weight:
296.43
Beilstein:
2214412
EC Number:
217-363-8
MDL number:
MFCD00013622
UNSPSC Code:
41116107
PubChem Substance ID:
329754498

grade

analytical standard

product line

PESTANAL®

shelf life

limited shelf life, expiry date on the label

technique(s)

HPLC: suitable
NMR: suitable
gas chromatography (GC): suitable

mp

92-96 °C

suitability

passes test for identity (NMR)

application(s)

agriculture
environmental

format

neat

SMILES string

CSc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl

InChI

1S/C7H3Cl5S/c1-13-7-5(11)3(9)2(8)4(10)6(7)12/h1H3

InChI key

LGZZJTIUEJNNKV-UHFFFAOYSA-N

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Application

Refer to the product′s Certificate of Analysis for more information on a suitable instrument technique. Contact Technical Service for further support.

Legal Information

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

Hazard Statements

H413

Hazard Classifications

Aquatic Chronic 4

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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J E Bakke et al.
Xenobiotica; the fate of foreign compounds in biological systems, 20(6), 601-605 (1990-06-01)
1. Biliary metabolites from rats dosed with pentachlorothioanisole (PCTA) were characterized by fast atom bombardment mass spectrometry and electron impact mass spectrometry. 2. Most of the biliary metabolites from PCTA were mercapturic acid pathway metabolites of methylsulphinyltetrachlorobenzene (51% of the
Y Kato et al.
Journal of pharmacobio-dynamics, 13(5), 278-284 (1990-05-01)
Effects of hexachlorobenzene (HCB) and its sulfur-containing metabolites on the heme metabolic enzymes in rat liver were investigated. A single injection of HCB caused the increase in activities of delta-aminolevulinic acid (ALA) synthetase and heme oxygenase, and contents of cytochrome
D J Mulford et al.
Xenobiotica; the fate of foreign compounds in biological systems, 21(5), 597-603 (1991-05-01)
1. The metabolism of pentachlorothioanisole to bis-(methylthio)tetrachlorobenzene was shown to involve turnover of about 50% of the original methylthio group. 2. Metabolites of the displaced methylthio group were methanesulphinic acid and sulphate in the urine, carbon dioxide in the expired
Hexachlorobenzene (HCB) and some of its sulfur-containing metabolites: tissue retention and excretion routes in mice.
I Brandt et al.
Developments in toxicology and environmental science, 8, 627-630 (1980-01-01)
Cara L Ferreira et al.
Bioconjugate chemistry, 23(11), 2239-2246 (2012-10-06)
In this study, a bifunctional version of the chelate PCTA was compared to the analogous NOTA derivative for peptide conjugation, (68)Ga radiolabeling, and small peptide imaging. Both p-SCN-Bn-PCTA and p-SCN-Bn-NOTA were conjugated to cyclo-RGDyK. The resulting conjugates, PCTA-RGD and NOTA-RGD
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