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Home > Encyclopedia > Pentachlorothioanisole

Pentachlorothioanisole

Pentachlorothioanisole structure

Pentachlorothioanisole 

structure
  • CAS No:

    1825-19-0

  • Formula:

    C7H3Cl5S

  • Chemical Name:

    Pentachlorothioanisole

  • Synonyms:

    Benzene,1,2,3,4,5-pentachloro-6-(methylthio)-;Sulfide,methyl pentachlorophenyl;Benzene,pentachloro(methylthio)-;1,2,3,4,5-Pentachloro-6-(methylthio)benzene;Methyl pentachlorophenyl sulfide;Pentachlorothioanisole;Pentachloro(methylthio)benzene;Methylthiopentachlorobenzene;Pentachlorophenyl methyl sulfide;PCTA;1,2,3,4,5-Pentachloro-6-methylsulfanylbenzene;1,2,3,4,5-Pentachloro-6-(methylsulfanyl)benzene;76560-52-6

  • Categories:

    Analytical Chemistry  >  Standard

Pentachlorothioanisole Basic Attributes

296.43

296.43

217-363-8

9FRH35YH8R

DTXSID3042263

2930909090

Characteristics

25.3

5.81

1.68±0.1 g/cm3(Predicted)

95-96 °C

318.5±42.0 °C(Predicted)

139.6±25.0 °C

1.641

Safety Information

NONH for all modes of transport

S22-S24/25

WQ5520000

P273, P501

H413

H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]|P273, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Toxicity

PENTACHLOROPHENYL METHYL SULFIDE WAS CONVERTED INTO ITS SULFOXIDE & SULFONE ANALOGS IN NONSTERILIZED SOIL, BUT CONVERSION WAS BARELY OBSERVED IN AUTOCLAVED SOIL, SUGGESTING MICROBIAL PARTICIPATION.|FATE OF PENTACHLORONITROBENZENE IN 5 SOILS WITH (14)C-LABEL, 42-60% OF ORIGINAL RADIOACTIVITY WAS RECOVERED FROM SOILS CONSISTING OF SMALL AMT OF PENTACHLOROPHENYL METHYL SULFIDE.|PENTACHLOROTHIOANISOL WAS FOUND IN RICE PLANTS AS WELL AS IN SOIL TREATED WITH PENTACHLORONITROBENZENE. RESIDUE LEVELS WERE 0.037-0.04 PPM IN SOIL WHICH ADVERSELY AFFECTED GROWTH OF RICE PLANT, ESP THAT OF ROOT.

STUDIES WERE PERFORMED TO DETERMINE LEVELS OF RESIDUES OF PENTACHLORONITROBENZENE & RELATED COMPD IN PEANUT BUTTER. ONE RESIDUE IN HIGH CONCN IN 11 SAMPLES ANALYZED WAS PENTACHLOROTHIOANISOLE @ 61 PPB.

Drug Information

1-DAY-OLD WHITE LEGHORN CHICKS FED GRADED LEVELS (0-1000 PPM) OF PENTACHLORONITROBENZENE LESS THAN OR EQUAL TO 8 WK. BIOACCUMULATION OF PENTACHLORONITROBENZENE OR ITS METABOLITES, PENTACHLOROANILINE & PENTACHLOROPHENYL METHYL SULFIDE IN TISSUES OCCURRED IN TRACE OR LOW CONCN.|PENTACHLOROTHIOANISOLE WAS IDENTIFIED IN LIVER OF RATS AFTER ADMIN OF HEXACHLOROBENZENE. FOLLOWING ADMIN OF SULFOXIDE & SULFONE OF PENTACHLOROTHIOANISOLE, IT & ITS METABOLITES WERE DETECTED IN EXCRETA, NO EVIDENCE WAS OBTAINED THAT PENTACHLOROTHIOANISOLE WAS EXCRETED UNCHANGED.|TISSUE DISTRIBUTION OF METHYL PENTACHLOROPHENYL SULFIDE WAS STUDIED IN PREGNANT C57B1/6 MICE.|METHYL PENTACHLOROPHENYL SULFIDE, METABOLITE OF PENTACHLORONITROBENZENE, WAS FOUND IN TISSUE OF TREATED ANIMALS (RAT, DOG, COW), WHICH TOGETHER WITH ABSENCE OF PENTACHLORONITROBENZENE INDICATED RAPID METABOLISM OF LATTER.|For more Absorption, Distribution and Excretion (Complete) data for PENTACHLOROPHENYL METHYL SULFIDE (9 total), please visit the HSDB record page.

PENTACHLOROTHIOANISOLE IS A METABOLITE OF PESTICIDES PENTACHLORONITROBENZENE & HEXACHLOROBENZENE.|PURE PENTACHLORONITROBENZENE ADMIN TO RHESUS MONKEYS AS SINGLE ORAL DOSES OF 0.5, 2 OR 91 MG/KG & IN 70-DAY FEEDING STUDY @ 2 PPM IN DAILY DIET. PENTACHLOROTHIOANISOLE WAS A MAJOR METABOLITE.

methylthiopentachlorobenzene

Pentachlorothioanisole Use and Manufacturing

Methods of Manufacturing

PROBABLY BY REACTION OF THE SODIUM SALT OF PENTACHLOROTHIOPHENOL WITH METHYL IODIDE

Uses

RESEARCH CHEMICAL

Production

(1977) NOT PRODUCED COMMERCIALLY IN US|(1979) NOT PRODUCED COMMERCIALLY IN US

Computed Properties

Molecular Weight:296.4
XLogP3:5.6
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:295.836860
Monoisotopic Mass:293.839810
Topological Polar Surface Area:25.3
Heavy Atom Count:13
Complexity:162
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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