Pentachlorothiophenol

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Names

[ CAS No. ]:
133-49-3

[ Name ]:
Pentachlorothiophenol

[Synonym ]:
Pentachlorothiophenol
2,3,4,5,6-pentachlorobenzenethiol
Benzenethiol, 2,3,4,5,6-pentachloro-
EINECS 205-107-8
Pentachlorobenzenethiol
MFCD00059146

Chemical & Physical Properties

[ Density]:
1.7±0.1 g/cm3

[ Boiling Point ]:
351.3±37.0 °C at 760 mmHg

[ Melting Point ]:
223-227 °C(lit.)

[ Molecular Formula ]:
C6HCl5S

[ Molecular Weight ]:
282.402

[ Flash Point ]:
144.6±25.9 °C

[ Exact Mass ]:
279.824158

[ PSA ]:
38.80000

[ LogP ]:
5.43

[ Vapour Pressure ]:
0.0±0.7 mmHg at 25°C

[ Index of Refraction ]:
1.648

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DC1925000
CHEMICAL NAME :
Benzenethiol, pentachloro-
CAS REGISTRY NUMBER :
133-49-3
BEILSTEIN REFERENCE NO. :
1108638
LAST UPDATED :
199701
DATA ITEMS CITED :
5
MOLECULAR FORMULA :
C6-H-Cl5-S
MOLECULAR WEIGHT :
282.38
WISWESSER LINE NOTATION :
SHR BG CG DG EG FG

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration into the eye
SPECIES OBSERVED :
Rodent - rabbit
REFERENCE :
85JCAE "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986 Volume(issue)/page/year: -,989,1986 ** ACUTE TOXICITY DATA **
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
100 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: AD277-689 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 81922 No. of Facilities: 61 (estimated) No. of Industries: 3 No. of Occupations: 9 No. of Employees: 769 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 81922 No. of Facilities: 1259 (estimated) No. of Industries: 6 No. of Occupations: 12 No. of Employees: 24076 (estimated) No. of Female Employees: 2595 (estimated)

Safety Information

[ Symbol ]:

GHS07

[ Signal Word ]:
Warning

[ Hazard Statements ]:
H319

[ Precautionary Statements ]:
P305 + P351 + P338

[ Hazard Codes ]:
Xi

[ Risk Phrases ]:
R20/22

[ RIDADR ]:
UN 3335

[ WGK Germany ]:
3

[ RTECS ]:
DC1925000

[ HS Code ]:
2930909090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Hexachlorobenzene
  • Pentachloronitrobenzene
  • sodium pentachlorobenzenethiolate
  • 1,2,3,4,5-pentachloro-6-chlorosulfanyl-benzene
  • Isobutane Residual Solvent Standard
  • Pentachloroaniline
  • Benzene,1,2,3,4,5-pentachloro-6-fluoro-
  • cyclohexane

DownStream

  • 1,2,3,4,5-pentachloro-6-chlorosulfanyl-benzene
  • 2,3,4,5,6-pentachlorobenzenesulfonyl chloride
  • Bis(pentachlorophenyl) disulfide
  • pentachloromethylthiobenzene
  • Benzene,1,2,3,4,5-pentachloro-6-(ethylthio)-
  • 6,8-ditert-butyl-1,2,3,4-tetrachlorophenoxathiine
  • 2,3,5,6-Tetrachloro-4-(methylthio)benzenethiol
  • 1-benzylsulfanyl-2,3,4,5,6-pentachloro-benzene
  • Acetic acid, [ (pentachlorophenyl)thio]-
  • Benzene,1,2,3,4,5-pentachloro-6-[(2-phenylethynyl)thio]-

Customs

[ HS Code ]: 2930909090

[ Summary ]:
2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

Articles

Sex-related difference in hepatic glutathione conjugation of hexachlorobenzene in the rat.

Toxicol. Appl. Pharmacol. 112(2) , 229-34, (1992)

Hexachlorobenzene (HCB) induces hepatic porphyria and liver cancer in female rats, whereas toxicity is minimal in male rats. HCB is biotransformed to sulfur-containing metabolites originating from con...

Effect of estradiol on the induction of porphyria by hexachlorobenzene in the rat.

Biochem. Pharmacol. 54(1) , 19-25, (1997)

Hexachlorobenzene (HCB) is porphyrinogenic in adult female but not in male rats. This study aimed to assess the role of 17beta-estradiol in the induction of porphyria by HCB in both sexes by adding or...

Conversion products of hexachlorobenzene and their role in the disturbance of the porphyrin pathway in rats.

Int. J. Biochem. 12(5-6) , 1003-6, (1980)


More Articles

Related Compounds

  • Sodiumpentachlorothiophenolate
  • 3-(Aminomethyl)-3-(1,3-thiazol-4-yl)cyclobutan-1-ol
  • 2,2-Dimethyl-3-[2-(propan-2-yl)phenyl]cyclopropane-1-carboxylic acid
  • tert-butyl N-[3-amino-2-(2,3-dichlorophenyl)-2-methylpropyl]carbamate
  • 3-[(1H-indazol-3-yl)methyl]azetidin-3-ol
  • 2-Amino-3-[3-fluoro-4-(trifluoromethyl)phenyl]-3-hydroxypropanoic acid
  • 4-Amino-4-[1-(4-fluorophenyl)ethyl]cyclohexan-1-ol
  • 2-[1-(3-Bromo-2,4-dimethylphenyl)cyclobutyl]ethan-1-amine
  • Methyl 5-(carbamimidoylmethyl)thiophene-3-carboxylate
  • tert-butyl 4-(2-hydroxypropan-2-yl)-1H-imidazole-1-carboxylate
  • tert-butyl N-methyl-N-(1-oxo-3-phenylbutan-2-yl)carbamate
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