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133-49-3

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133-49-3 Usage

Chemical Properties

Light yellow powder

Uses

Pentachlorothiophenol is plasticizer; is used in method for preparing outer rubber hose for high performance hydraulic oil pipe.

Synthesis Reference(s)

Synthetic Communications, 22, p. 3277, 1992 DOI: 10.1080/00397919208021143

Safety Profile

Poison by intraperitoneal route. Mildly toxic by ingestion. Severe eye irritant. When heated to decomposition it emits very toxic fumes of SOx and Clí.

Purification Methods

Crystallise from *benzene, toluene (m 243o) or AcOH (m 240o also 242-244o). [Beilstein 6 IV 1642.]

Check Digit Verification of cas no

The CAS Registry Mumber 133-49-3 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 1,3 and 3 respectively; the second part has 2 digits, 4 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 133-49:
(5*1)+(4*3)+(3*3)+(2*4)+(1*9)=43
43 % 10 = 3
So 133-49-3 is a valid CAS Registry Number.
InChI:InChI=1/C6HCl5S/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H

133-49-3 Well-known Company Product Price

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  • (MET12159B)  Pentachlorothiophenol  analytical standard

  • 133-49-3

  • MET12159B-100MG

  • 449.28CNY

  • Detail

133-49-3SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 10, 2017

Revision Date: Aug 10, 2017

1.Identification

1.1 GHS Product identifier

Product name Pentachlorothiophenol

1.2 Other means of identification

Product number -
Other names Benzenethiol, pentachloro-

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:133-49-3 SDS

133-49-3Synthetic route

Quintozene
82-68-8

Quintozene

pentachlorothiophenol
133-49-3

pentachlorothiophenol

Conditions
ConditionsYield
With sodium hydroxide; hydrogen sulfide 1.) methanol, 2.) pyridine, reflux , 2h;55%
(Z,Z)-2,3,4,5-Tetrachlor-2,4-pentadienthiosaeure-S-pentachlorphenylester
76827-74-2

(Z,Z)-2,3,4,5-Tetrachlor-2,4-pentadienthiosaeure-S-pentachlorphenylester

A

pentachlorothiophenol
133-49-3

pentachlorothiophenol

B

3,4,5-trichloro-α-pyrone
5659-38-1

3,4,5-trichloro-α-pyrone

Conditions
ConditionsYield
With tin(IV) chloride for 6h; Heating;A 25%
B 55%
diethyl ether
60-29-7

diethyl ether

2-(pentachlorophenylsulfanyl)-1-phenylethanone

2-(pentachlorophenylsulfanyl)-1-phenylethanone

A

pentachlorothiophenol
133-49-3

pentachlorothiophenol

B

acetophenone
98-86-2

acetophenone

C

1-ethoxy-1-pentachlorophenylsulfanylethane

1-ethoxy-1-pentachlorophenylsulfanylethane

D

phenacylacetophenone
495-71-6

phenacylacetophenone

Conditions
ConditionsYield
for 2h; Product distribution; Irradiation;A 16%
B 30%
C 54%
D n/a
hexachlorobenzene
118-74-1

hexachlorobenzene

pentachlorothiophenol
133-49-3

pentachlorothiophenol

Conditions
ConditionsYield
With benzyltriethylammonium tetrathiomolybdate In N,N-dimethyl-formamide at 70℃; for 8h;20%
With methanol; sodium hydrogensulfide at 120 - 140℃;
With pyridine; sodium hydrogensulfide; ethylene glycol
With methanol; sodium sulfide; sulfur
With sodium hydroxide; sodium hydrogensulfide; concentrated aqueous hydrochloric acid In N-methyl-acetamide; water
2,3,4,5,6-pentachloroaniline
527-20-8

2,3,4,5,6-pentachloroaniline

pentachlorothiophenol
133-49-3

pentachlorothiophenol

Conditions
ConditionsYield
With hydrogenchloride; acetic acid; sodium nitrite anschliessend Behandeln mit einer wss. Loesung von Kalium-<O-aethyl-dithiocarbonat> und Natriumcarbonat und Erwaermen des danach erhaltenen Reaktionsprodukts mit einer wss.-aethanol. Natronlauge;
pentachlorophenylsulphenyl chloride
19815-92-0

pentachlorophenylsulphenyl chloride

Isobutane
75-28-5

Isobutane

A

pentachlorothiophenol
133-49-3

pentachlorothiophenol

B

di(pentachlorophenyl)disulfide
22441-21-0

di(pentachlorophenyl)disulfide

C

t-Bu-pentachlorphenylsulfid
42325-67-7

t-Bu-pentachlorphenylsulfid

D

iso-Bu-pentachlorphenylsulfid
42325-68-8

iso-Bu-pentachlorphenylsulfid

Conditions
ConditionsYield
With CFC-112a In tetrachloromethane Irradiation;
pentachlorophenylsulphenyl chloride
19815-92-0

pentachlorophenylsulphenyl chloride

cyclohexane
110-82-7

cyclohexane

A

pentachlorothiophenol
133-49-3

pentachlorothiophenol

B

cyclohexyl chloride
542-18-7

cyclohexyl chloride

C

di(pentachlorophenyl)disulfide
22441-21-0

di(pentachlorophenyl)disulfide

D

Cyclohexyl-pentachlorphenyl-sulfid
91399-09-6

Cyclohexyl-pentachlorphenyl-sulfid

Conditions
ConditionsYield
In tetrachloromethane Irradiation; Further byproducts given;
pentachlorofluorobenzene
319-87-9

pentachlorofluorobenzene

pentachlorothiophenol
133-49-3

pentachlorothiophenol

Conditions
ConditionsYield
With pyridine; sodium hydrogensulfide
sodium pentachlorobenzenethiolate
22441-28-7

sodium pentachlorobenzenethiolate

pentachlorothiophenol
133-49-3

pentachlorothiophenol

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: 76 percent / diethyl ether / 1 h / Ambient temperature
2: 25 percent / tin(IV) chloride / 6 h / Heating
View Scheme
pentachlorothiophenol
133-49-3

pentachlorothiophenol

5-t-butyl-7-methyl-1-oxaspiro<2,5>octa-5,7-dien-4-one
78074-81-4

5-t-butyl-7-methyl-1-oxaspiro<2,5>octa-5,7-dien-4-one

6-t-butyl-1,2,3,4-tetrachloro-8-methylphenoxathiin
78074-84-7

6-t-butyl-1,2,3,4-tetrachloro-8-methylphenoxathiin

Conditions
ConditionsYield
With sodium hydroxide In ethanol for 1.5h; Mechanism; Heating;95%
With sodium hydroxide In ethanol for 1.5h; Heating;95%
With sodium hydroxide In ethanol Yield given;
pentachlorothiophenol
133-49-3

pentachlorothiophenol

1,2-bis(diphenylphosphino)ethane nickel(II) chloride
14647-23-5

1,2-bis(diphenylphosphino)ethane nickel(II) chloride

C38H24Cl10NiP2S2

C38H24Cl10NiP2S2

Conditions
ConditionsYield
Stage #1: pentachlorothiophenol With methyllithium In tetrahydrofuran; diethyl ether at 0 - 20℃; Inert atmosphere; Schlenk technique;
Stage #2: 1,2-bis(diphenylphosphino)ethane nickel(II) chloride In tetrahydrofuran; diethyl ether for 2h; Inert atmosphere; Schlenk technique;
93%
pentachlorothiophenol
133-49-3

pentachlorothiophenol

triphenylbismuthane
603-33-8

triphenylbismuthane

[Bi(SC6Cl5)3]

[Bi(SC6Cl5)3]

Conditions
ConditionsYield
In toluene byproducts: C6H6; (Ar); standard Schlenk technique; HSC6Cl5 (3 equiv.) was added to soln. of Bi compd. in toluene; mixt. was refluxed for 96 h; solvent removed (vac., room temp.); residue washed (hexane); dried (vac.); elem. anal.;91%
pentachlorothiophenol
133-49-3

pentachlorothiophenol

diphenylantimony(III) acetate
5613-52-5

diphenylantimony(III) acetate

(C6H5)2SbSC6Cl5
5035-71-2

(C6H5)2SbSC6Cl5

Conditions
ConditionsYield
In toluene82%
In toluene82%
In toluene
In toluene
2,3-Dichloro-1,4-naphthoquinone
117-80-6

2,3-Dichloro-1,4-naphthoquinone

pentachlorothiophenol
133-49-3

pentachlorothiophenol

2-chloro-3-((perchlorophenyl)thio)naphthalene-1,4-dione
1404074-65-2

2-chloro-3-((perchlorophenyl)thio)naphthalene-1,4-dione

Conditions
ConditionsYield
With sodium carbonate In ethanol for 6 - 8h;78%
pentachlorothiophenol
133-49-3

pentachlorothiophenol

5,7-di-t-butyl-1-oxaspiro<2.5>octa-5,7-dien-4-one
39117-89-0

5,7-di-t-butyl-1-oxaspiro<2.5>octa-5,7-dien-4-one

6,8-di-t-butyl-1,2,3,4-tetrachlorophenoxathiin
78074-83-6

6,8-di-t-butyl-1,2,3,4-tetrachlorophenoxathiin

Conditions
ConditionsYield
With sodium hydroxide In ethanol for 1.5h; Heating;73%
With sodium hydroxide In ethanol Yield given;
pentachlorothiophenol
133-49-3

pentachlorothiophenol

Methyl 2-acetamidoacrylate
35356-70-8

Methyl 2-acetamidoacrylate

2-acetamido-3-(pentachlorophenylsulfanyl)propionic acid methyl ester
68671-96-5

2-acetamido-3-(pentachlorophenylsulfanyl)propionic acid methyl ester

Conditions
ConditionsYield
With Aliquat 336; potassium carbonate In tetrahydrofuran; toluene at 20℃; for 18h; sulfa-Michael addition;71%
pentachlorothiophenol
133-49-3

pentachlorothiophenol

S-difluoromethyl-S-phenyl-2,4,6-trimethoxyphenylsulfonium tetrafluoroborate

S-difluoromethyl-S-phenyl-2,4,6-trimethoxyphenylsulfonium tetrafluoroborate

(difluoromethyl)(perchlorophenyl)sulfane

(difluoromethyl)(perchlorophenyl)sulfane

Conditions
ConditionsYield
Stage #1: pentachlorothiophenol With lithium hydroxide In fluorobenzene at 20℃; for 0.5h; Schlenk technique; Inert atmosphere;
Stage #2: S-difluoromethyl-S-phenyl-2,4,6-trimethoxyphenylsulfonium tetrafluoroborate In fluorobenzene at 20℃; Schlenk technique; Inert atmosphere; chemoselective reaction;
69%
pentachlorothiophenol
133-49-3

pentachlorothiophenol

1,3-chlorobromopropane
109-70-6

1,3-chlorobromopropane

pentachlorophenyl 3-chloropropyl sulfide
1227176-31-9

pentachlorophenyl 3-chloropropyl sulfide

Conditions
ConditionsYield
With potassium hydroxide In ethanol for 2h; Inert atmosphere; Reflux;68%
pentachlorothiophenol
133-49-3

pentachlorothiophenol

propyl bromide
106-94-5

propyl bromide

propyl pentachlorophenyl sulfide

propyl pentachlorophenyl sulfide

Conditions
ConditionsYield
With potassium hydroxide In ethanol for 2h; Heating;60%
pentachlorothiophenol
133-49-3

pentachlorothiophenol

{Cu(C5H4NCHNNCSNH2)(CH3CO2)}2

{Cu(C5H4NCHNNCSNH2)(CH3CO2)}2

{Cu(C7H7N4S)(C6Cl5S)}2

{Cu(C7H7N4S)(C6Cl5S)}2

Conditions
ConditionsYield
In methanol; sodium hydroxide aq. NaOH; a soln. of the thiophenol in 0.1M aq.-methanolic NaOH wad added dropwise to a hot, filtered aq. soln. of the Cu-complex (molar ratio Cu-complex:Hpctp = 1 : 2);; the ppt. was immediately washed with water and diethyl ether; elem. anal.;;56%
pentachlorothiophenol
133-49-3

pentachlorothiophenol

5,6,8-trimethyl-1-oxaspiro<2,5>octa-5,7-dien-4-one
78074-82-5

5,6,8-trimethyl-1-oxaspiro<2,5>octa-5,7-dien-4-one

1,2,3,4-tetrachloro-6,7,9-trimethylphenoxathiin
78074-85-8

1,2,3,4-tetrachloro-6,7,9-trimethylphenoxathiin

Conditions
ConditionsYield
With sodium hydroxide In ethanol for 1.5h; Heating;47%
With sodium hydroxide In ethanol Yield given;
pentachlorothiophenol
133-49-3

pentachlorothiophenol

4-Bromo-2,3,5,6-tetrachloropyridine
23995-94-0

4-Bromo-2,3,5,6-tetrachloropyridine

tetrachloro-4-(pentachlorophenylthio)pyridine
39775-10-5

tetrachloro-4-(pentachlorophenylthio)pyridine

Conditions
ConditionsYield
With sodium carbonate In N,N-dimethyl-formamide for 2h; Heating;25%
pentachlorothiophenol
133-49-3

pentachlorothiophenol

N,N'-dichloro-1,4-benzoquinone diimine
103303-10-2, 637-70-7, 68456-83-7

N,N'-dichloro-1,4-benzoquinone diimine

C18H4Cl10N2S2

C18H4Cl10N2S2

Conditions
ConditionsYield
With sodium carbonate In 1,4-dioxane6%
2-furancarbonyl chloride
527-69-5

2-furancarbonyl chloride

pentachlorothiophenol
133-49-3

pentachlorothiophenol

furan-2-carbothioic acid S-pentachlorophenyl ester
112535-67-8

furan-2-carbothioic acid S-pentachlorophenyl ester

Conditions
ConditionsYield
With pyridine
pentachlorothiophenol
133-49-3

pentachlorothiophenol

thiophosgene
463-71-8

thiophosgene

trithiocarbonic acid bis-pentachlorophenyl ester
85139-17-9

trithiocarbonic acid bis-pentachlorophenyl ester

Conditions
ConditionsYield
With sodium hydroxide
pentachlorothiophenol
133-49-3

pentachlorothiophenol

2-bromoethylamine hydrobromide
2576-47-8

2-bromoethylamine hydrobromide

2-pentachlorophenylsulfanyl-ethylamine
14289-10-2

2-pentachlorophenylsulfanyl-ethylamine

Conditions
ConditionsYield
With sodium hydroxide
pentachlorothiophenol
133-49-3

pentachlorothiophenol

pentachlorophenylsulphenyl chloride
19815-92-0

pentachlorophenylsulphenyl chloride

Conditions
ConditionsYield
With tetrachloromethane; chlorine
With chlorine
With iodine; chlorine In tetrachloromethane
pentachlorothiophenol
133-49-3

pentachlorothiophenol

di(pentachlorophenyl)disulfide
22441-21-0

di(pentachlorophenyl)disulfide

Conditions
ConditionsYield
With tetrachloromethane; phosphorus pentachloride
With sodium hydroxide; potassium hexacyanoferrate(III)
With dihydrogen peroxide In water
pentachlorothiophenol
133-49-3

pentachlorothiophenol

(2-chloro-ethyl)-pentachlorophenyl sulfide
55882-17-2

(2-chloro-ethyl)-pentachlorophenyl sulfide

Conditions
ConditionsYield
With potassium hydroxide; 1,2-dichloro-ethane
pentachlorothiophenol
133-49-3

pentachlorothiophenol

pentachlorothioanisole
1825-19-0

pentachlorothioanisole

Conditions
ConditionsYield
With sodium hydroxide; dimethyl sulfate
With ethanol; sodium ethanolate; methyl iodide
pentachlorothiophenol
133-49-3

pentachlorothiophenol

ethyl-pentachlorophenyl sulfide
77876-27-8

ethyl-pentachlorophenyl sulfide

Conditions
ConditionsYield
With ethanol; sodium ethanolate; ethyl iodide
With sodium hydroxide; diethyl sulfate
pentachlorothiophenol
133-49-3

pentachlorothiophenol

pentachloro-benzenesulfenyl bromide
98139-76-5

pentachloro-benzenesulfenyl bromide

Conditions
ConditionsYield
With hexane; bromine
pentachlorothiophenol
133-49-3

pentachlorothiophenol

pentachlorophenyl-vinyl sulfide
98436-67-0

pentachlorophenyl-vinyl sulfide

Conditions
ConditionsYield
With sodium carbonate; acetylene at 190℃; under 10297.1 Torr;
pentachlorothiophenol
133-49-3

pentachlorothiophenol

bis-pentachlorophenyl trisulfide
80303-92-0

bis-pentachlorophenyl trisulfide

Conditions
ConditionsYield
With carbon disulfide; sulfur dichloride

133-49-3Relevant articles and documents

Photochemical Induced Cyclisation of β-Keto Sulfides to Cycloalkanones

Bahari, Kamarudin B.,Deodhar, Dinker J.,Hesabi, Masoud-M.,Hill, John,Kosmirak, Mario,et al.

, p. 2393 - 2398 (2007/10/02)

On UV irradiation, β-keto sulfides ArSCH2COPh (Ar = C6F5, C6CL5) cleaved to radicals ArS* and PhCOCH2* which, in one case (Ar = C6F5), were trapped by 1,1-diphenylethylene as the adduct PhCOCH2CH2C(Ph)2SC6F5.With diethyl ether as the solvent the major product was the monothioacetal ArSCH(Me)OEt.The keto sulfide 4-MeSO2C6H4SCH2COPh behaved similarly on irradiation in tetrahydrofuran.Irradiation of the unsaturated β-keto sulfides CH2=CH2COCH2SAr resulted in homolysis of the CH2-S bond to give a 2-oxohex-5-enyl radical, which subsequently cyclised; 4-(pentafluorophenylsulfanyl)cyclohexanone (when Ar = C6F5) and cyclohexanone (when Ar = p-tolyl) were the major products.With β-keto sulfides containing an aryl substituent, ethyl 2-benzyl-2-methyl-3-oxo-4-(pentafluorophenylsulfanyl)butanoate and 1,3-bis(p-tolylsulfanyl)propanone, irradiation resulted in cyclisation with loss of the sulfanyl substituent (probably involving electron transfer) to give 3-ethoxycarbonyl-3-methyl-1,2,3,4-tetrahydronaphthalen-2-one and 6-methylthiochroman-3-one, respectively, in high yield.

Process for producing pentachloronitrobenzene from hexachlorobenzene

-

, (2008/06/13)

Disclosed is a process for producing pentachloronitrobenzene (PCNB) by reacting hexachlorobenzene (HEX) with sodium hydrosulfide (NaSH) in the presence of sodium hydroxide (NaOH), sodium carbonate (Na2 CO3), or mixtures thereof to produce the sodium salt of pentachlorothiophenol (PCTP), followed by reacting it (or PCTP itself after acidifying) with nitric acid in the presence of sulfuric acid or oleum.

Rearrangements of Vinylogous Acyl Chlorides, XXVI. - Z,E-Isomerizations of S-Alkyl and S-Aryl 2,3,4,5-Tetrachloro-2,4-pentadienethioates via 2H-Pyran Intermediates

Roedig, Alfred,Fleischmann, Klaus

, p. 1960 - 1971 (2007/10/02)

The (Z,Z)-thioates 2 are prepared from the acyl chlorides 1 with thiols and triethylamine in ether or with thiolates in ethanol.They are stable below 100 deg C.At higher temperature the alkyl esters 2a - c and 2h, i lose alkyl chloride and decompose to th

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