4-Chlorobenzyl mercaptan supplier

Name
4-Chlorobenzyl mercaptan
EINECS 228-395-7
CAS No. 6258-66-8
Article Data24
CAS DataBase
Density 1.2
Solubility insoluble in water
Melting Point 19-20 °C(lit.)
Formula C7H7 Cl S
Boiling Point 125°C 35mm
Molecular Weight 158.652
Flash Point 76 ºC
Transport Information UN2810
Appearance Clear, colorless liquid. With a stench.
Safety 26-36/37/39
Risk Codes R20/21/22
Molecular Structure
Hazard Symbols
Synonyms a-Toluenethiol, p-chloro-(6CI,7CI,8CI); (4-Chlorophenyl)methanethiol; (p-Chlorophenyl)methanethiol;4-Chloro-a-toluenethiol; 4-Chlorobenzenemethanethiol;4-Chlorobenzyl mercaptan; 4-Chlorobenzylthiol; NSC 108735; NSC 203281;p-Chloro-a-toluenethiol;p-Chlorobenzenemethanethiol; p-Chlorobenzyl mercaptan; p-Chlorobenzylthiol
PSA 38.80000
LogP 2.76980

Synthetic route

: 1-chloro-4-[[[(Z)-2-(4-methylphenylsulfonyl)vinyl]sulfanyl]methyl]benzene

: 6258-66-8
(4-chlorophenyl)methanethiol

Conditions

Conditions	Yield
With pyrrolidine In acetonitrile at 20℃;	95%

: 104-83-6
1-Chloro-4-(chloromethyl)benzene

: 6258-66-8
(4-chlorophenyl)methanethiol

Conditions

Conditions	Yield
With hydrosulfide exchange resin In acetonitrile at 25℃; for 0.25h;	93%
With tetraethylammonium iodide; 1-(2-hydroxyethyl)-4,6-diphenylpyridin-2-thione In acetonitrile for 24h; Ambient temperature;	72%
With sodium hydrogensulfide

: 624731-62-0
S-(4-chlorobenzyl) ethanethioate

: 6258-66-8
(4-chlorophenyl)methanethiol

Conditions

Conditions	Yield
With methanol; tetra-n-butylammonium cyanide In chloroform at 20℃; for 3h;	92%
Acid hydrolysis;

: 96185-26-1
1-(2-hydroxyethyl)-4,6-diphenylpyridin-2-thione

A: 96185-27-2
2,3-dihydro-5,7-diphenyloxazolo(3,2-a)pyridinium iodide

B: 6258-66-8
(4-chlorophenyl)methanethiol

Conditions

Conditions	Yield
With 1-chloro-4-(iodomethyl)benzene In benzene at 20℃; for 3h; various alkyl and aryl halogenides;	A n/a B 89%

: 35424-56-7
1-chloro-4-(iodomethyl)benzene

: 6258-66-8
(4-chlorophenyl)methanethiol

Conditions

Conditions	Yield
With 1-(2-hydroxyethyl)-4,6-diphenylpyridin-2-thione In benzene at 20℃; for 3h;	89%

: 108-24-7
acetic anhydride

: 90732-58-4
2-(4-chlorobenzyl)isothiouronium bromide

A: 111039-44-2
4-(4-Chloro-benzylsulfanyl)-6-methyl-[1,3,5]triazin-2-ylamine

B: 6258-66-8
(4-chlorophenyl)methanethiol

Conditions

Conditions	Yield
In pyridine for 0.5h; Heating;	A 60% B n/a

...Expand

: 123-62-6
propionic acid anhydride

: 90732-58-4
2-(4-chlorobenzyl)isothiouronium bromide

A: 111039-46-4
4-(4-Chloro-benzylsulfanyl)-6-ethyl-[1,3,5]triazin-2-ylamine

B: 6258-66-8
(4-chlorophenyl)methanethiol

Conditions

Conditions	Yield
In pyridine for 0.5h; Heating;	A 57% B n/a

...Expand

: 28249-27-6
4-chlorobenzyl dimethylcarbamodithioate

: 6258-66-8
(4-chlorophenyl)methanethiol

Conditions

Conditions	Yield
With sodium hydroxide

: 104-83-6
1-Chloro-4-(chloromethyl)benzene

: 17356-08-0
thiourea

: 6258-66-8
(4-chlorophenyl)methanethiol

Conditions

Conditions	Yield
With ethanol Erwaermen des Reaktionsgemisches mit wss. NaOH;

: 64-17-5
ethanol

: 26504-33-6
dithiocarbonic acid O,S-bis-(4-chloro-benzyl ester)

: 100-63-0
phenylhydrazine

A: 3-phenyl-thiocarbazic acid O-(4-chloro-benzyl ester)

B: 6258-66-8
(4-chlorophenyl)methanethiol

...Expand

: 64-17-5
ethanol

: 409315-92-0
dithiocarbonic acid O-benzyl ester-S-(4-chloro-benzyl ester)

: 100-63-0
phenylhydrazine

A: 106522-06-9
3-phenyl-thiocarbazic acid O-benzyl ester

B: 6258-66-8
(4-chlorophenyl)methanethiol

...Expand

: 622-95-7
4-chlorobenzyl bromide

: 6258-66-8
(4-chlorophenyl)methanethiol

Conditions

Conditions	Yield
With ethanol; potassium hydrosulfide

: 46124-27-0
S-(4-chlorobenzyl)isothiourea

: 6258-66-8
(4-chlorophenyl)methanethiol

Conditions

Conditions	Yield
With sodium hydroxide at 70℃; for 0.333333h;

: 544-47-8
S-(4-chlorobenzyl)isothiourea hydrochloride

: 6258-66-8
(4-chlorophenyl)methanethiol

Conditions

Conditions	Yield
With sodium hydroxide at 20℃; Rate constant;

: 131887-62-2
[(4-Chloro-benzylsulfanyl)-dimethylamino-methylene]-dimethyl-ammonium; iodide

: 6258-66-8
(4-chlorophenyl)methanethiol

Conditions

Conditions	Yield
With sodium hydroxide at 20℃; Rate constant;

: 76950-79-3
1-(4-Chloro-benzyl)-2-methylsulfanyl-4,6-diphenyl-pyridinium; iodide

: 6258-66-8
(4-chlorophenyl)methanethiol

Conditions

Conditions	Yield
With sodium hydroxide; thiourea 1.) 170 deg C, 1 h; 2.) reflux, 3 h; Yield given. Multistep reaction;

: 7218-04-4, 26117-28-2, 616-91-1
N-Acetylcysteine

: C7H6ClNOS

A: 6258-66-8
(4-chlorophenyl)methanethiol

B: 60-24-2
2-hydroxyethanethiol

Conditions

Conditions	Yield
With sodium hydroxide In 1,4-dioxane at 25℃; Rate constant; pH 7.4;

...Expand

: p-chlorobenzyl octyl sulfide

A: 822-27-5
dioctyl disulfide

B: 111-88-6
Octanethiol

C: 106-43-4
para-chlorotoluene

D: 5216-35-3
1,2-bis(4-chlorophenyl)ethane

E: 80516-96-7
1-chloro-4-nonylbenzene

F: 6258-66-8
(4-chlorophenyl)methanethiol

G n-octane, 1-octene: n-octane, 1-octene

Conditions

Conditions	Yield
With hydrogen In acetone at -78℃; under 3.5 Torr; for 0.0833333h; Mechanism; Product distribution; other alkyl substituted-benzyl sulfides and alkyl sulfides, competition with n-octyl benzyl sulfide, reaction rate relative to n-octyl benzyl sulfide, microwave generation of H from H2;	A 0.36 % Chromat. B 6.33 % Chromat. C 0.25 % Chromat. D 2.11 % Chromat. E 0.37 % Chromat. F n/a G n/a

...Expand

4-Cl-benzyl halide: 4-Cl-benzyl halide

: 6258-66-8
(4-chlorophenyl)methanethiol

Conditions

Conditions	Yield
Stage #1: 4-Cl-benzyl halide With thiourea In ethanol Heating; Stage #2: With water; sodium hydroxide

: 28249-77-6
Thiobencarb

A: 39918-94-0
S-(4-chlorobenzyl) ethylthiocarbamate

B: 50586-77-1
S-(4-chlorobenzyl) acetyl(ethyl)thiocarbamate

C: 104-88-1
4-chlorobenzaldehyde

D: 6258-66-8
(4-chlorophenyl)methanethiol

E: 873-76-7
para-Chlorobenzyl alcohol

Conditions

Conditions	Yield
With water; titanium(IV) oxide UV-irradiation;

...Expand

: 104-83-6
1-Chloro-4-(chloromethyl)benzene

A: 23566-23-6
1,1’-[thiobis(methylene)]bis[4-chlorobenzene]

B: 6258-66-8
(4-chlorophenyl)methanethiol

Conditions

Conditions	Yield
With N-Methyldiethanolamine; hydrogen sulfide In toluene at 49.84℃; Temperature;

: 873-76-7
para-Chlorobenzyl alcohol

: 6258-66-8
(4-chlorophenyl)methanethiol

Conditions

Conditions	Yield
With Lawessons reagent In toluene for 48h; Reflux;
Multi-step reaction with 3 steps 1: sodium hydride / tetrahydrofuran; mineral oil / 1 h / 25 °C / Inert atmosphere 2: diphenylether / 22 h / 200 °C 3: potassium hydroxide / methanol; water / 24 h / 25 °C View Scheme

: 104-88-1
4-chlorobenzaldehyde

: 6258-66-8
(4-chlorophenyl)methanethiol

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: sodium tetrahydroborate / methanol 2: Lawessons reagent / toluene / 48 h / Reflux View Scheme

: 33688-98-1
S-(4-chlorobenzyl) N,N-dimethylthiocarbamate

: 6258-66-8
(4-chlorophenyl)methanethiol

Conditions

Conditions	Yield
With potassium hydroxide In methanol; water at 25℃; for 24h;

: O-(4-chlorobenzyl) N,N-dimethylthiocarbamate

: 6258-66-8
(4-chlorophenyl)methanethiol

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: diphenylether / 22 h / 200 °C 2: potassium hydroxide / methanol; water / 24 h / 25 °C View Scheme

: 6258-66-8
(4-chlorophenyl)methanethiol

: C7H6Cl2S2

: 27639-73-2
di(4-chlorobenzyl) trisulfide

Conditions

Conditions	Yield
With pyridine In diethyl ether for 0.5h;	100%

: 6258-66-8
(4-chlorophenyl)methanethiol

: 76-02-8
Trichloroacetyl chloride

: 534572-34-4
trichlorothioacetic acid S-(4-chlorobenzyl) ester

Conditions

Conditions	Yield
for 2h;	100%

: 13894-21-8
ethynyl p-tolyl sulfone

: 6258-66-8
(4-chlorophenyl)methanethiol

: 1-chloro-4-[[[(E)-2-(4-methylphenylsulfonyl)vinyl]sulfanyl]methyl]benzene

Conditions

Conditions	Yield
With sodium hydride In tetrahydrofuran at 0℃; for 0.333333h;	100%

: 107-14-2
chloroacetonitrile

: 6258-66-8
(4-chlorophenyl)methanethiol

: 4-Chlorobenzylmercapto-acetonitrile

Conditions

Conditions	Yield
With sodium hydroxide In water	100%

: 6258-66-8
(4-chlorophenyl)methanethiol

: 436799-32-5
5-bromo-2(trifluoromethyl)pyridine

: 919099-94-8
5-{[(4-chlorophenyl)methyl]thio}-2-(trifluoromethyl)pyridine

Conditions

Conditions	Yield
Stage #1: (4-chlorophenyl)methanethiol With sodium hydride In N,N-dimethyl-formamide at 0℃; for 0.166667h; Stage #2: 5-bromo-2(trifluoromethyl)pyridine In N,N-dimethyl-formamide at 20℃; for 4h;	100%

: 5122-82-7
1-adamantyl bromomethyl ketone

: 6258-66-8
(4-chlorophenyl)methanethiol

: 64310-53-8
1-adamantan-1-yl-2-(4-chlorobenzylsulfanyl)ethanone

Conditions

Conditions	Yield
With triethylamine In acetonitrile at 20℃;	99%
With triethylamine In acetonitrile at 20℃; for 18h;	99%

: 6258-66-8
(4-chlorophenyl)methanethiol

: 123492-60-4
3-crotonoyl-1,3-oxazolidin-2-one

: 3-(3-(4-chlorobenzylthio)butanoyl)oxazolidin-2-one

Conditions

Conditions	Yield
With C43H36F6N4OS In chloroform at -20℃; for 72h; optical yield given as %ee; enantioselective reaction;	99%

: 5-(bromoethynyl)-2-methoxypyridine

: 6258-66-8
(4-chlorophenyl)methanethiol

: 5-(((4-chlorobenzyl)thio)ethynyl)-2-methoxypyridine

Conditions

Conditions	Yield
With 2,6-dimethylpyridine; tetrakis(actonitrile)copper(I) hexafluorophosphate; 4,4'-di-tert-butyl-2,2'-bipyridine In acetonitrile at 20℃; for 0.166667h; Inert atmosphere; Sealed tube; chemoselective reaction;	99%
With pyridine; (1,2-dimethoxyethane)dichloronickel(II); (4s,6s)-2,4,5,6-tetra(9H-carbazol-9-yl)isophthalonitrile In N,N-dimethyl-formamide; acetonitrile at 20℃; for 0.5h; Inert atmosphere; Sealed tube; Irradiation;	83%

: 17753-46-7
diethyl (bromoethynyl)phosphonate

: 6258-66-8
(4-chlorophenyl)methanethiol

: diethyl (((4-chlorobenzyl)thio)ethynyl)phosphonate

Conditions

Conditions	Yield
With 2,6-dimethylpyridine; tetrakis(actonitrile)copper(I) hexafluorophosphate; 4,4'-di-tert-butyl-2,2'-bipyridine In acetonitrile at 20℃; for 0.166667h; Inert atmosphere; Sealed tube; chemoselective reaction;	99%

: tert-butyl diphenylmethylsilylglyoxylate

: 6258-66-8
(4-chlorophenyl)methanethiol

: C26H29ClO3SSi

Conditions

Conditions	Yield
With C39H60N4O4; yttrium(III) trifluoromethanesulfonate In dichloromethane at -60℃; for 12h; enantioselective reaction;	99%

: 6258-66-8
(4-chlorophenyl)methanethiol

: 140645-28-9
(4S)-N-tert-butoxycarbonyl-4-[[(4'-methylbenzenesulfonyl)oxy]methyl]-2,2-dimethyl-1,3-oxazolidine

: 935547-66-3
4(S)-4-(4-chlorobenzylthiomethyl)-2,2-dimethyloxazolidine-3-carboxylic acid tert-butyl ester

Conditions

Conditions	Yield
Stage #1: (4-chlorophenyl)methanethiol With sodium hydride In N,N-dimethyl-formamide at 20℃; Stage #2: (4S)-N-tert-butoxycarbonyl-4-[[(4'-methylbenzenesulfonyl)oxy]methyl]-2,2-dimethyl-1,3-oxazolidine In N,N-dimethyl-formamide at 40℃; for 1h;	98%
With sodium hydride In N,N-dimethyl-formamide at 60 - 80℃;

: 123-75-1
pyrrolidine

: 124-38-9
carbon dioxide

: 6258-66-8
(4-chlorophenyl)methanethiol

: 34758-97-9
C12H14ClNOS

Conditions

Conditions	Yield
Stage #1: pyrrolidine; carbon dioxide In dimethyl sulfoxide at 20℃; for 0.5h; Stage #2: (4-chlorophenyl)methanethiol With triphenylphosphine; diethylazodicarboxylate In dimethyl sulfoxide at 20℃; for 3h; Further stages.;	98%

...Expand

: 932-87-6
1-Bromo-2-phenylacetylene

: 6258-66-8
(4-chlorophenyl)methanethiol

: (4-chlorobenzyl)(phenylethynyl)sulfane

Conditions

Conditions	Yield
With pyridine; (1,2-dimethoxyethane)dichloronickel(II); (4s,6s)-2,4,5,6-tetra(9H-carbazol-9-yl)isophthalonitrile In N,N-dimethyl-formamide; acetonitrile at 20℃; for 0.5h; Inert atmosphere; Sealed tube; Irradiation;	98%

: 6258-66-8
(4-chlorophenyl)methanethiol

: 934-94-1
1-bromo-4-bromoethynyl-benzene

: ((4-bromophenyl)ethynyl)(4-chlorobenzyl)sulfane

Conditions

Conditions	Yield
With 2,6-dimethylpyridine; tetrakis(actonitrile)copper(I) hexafluorophosphate; 4,4'-di-tert-butyl-2,2'-bipyridine In acetonitrile at 20℃; for 0.166667h; Inert atmosphere; Sealed tube; chemoselective reaction;	98%
With pyridine; (1,2-dimethoxyethane)dichloronickel(II); (4s,6s)-2,4,5,6-tetra(9H-carbazol-9-yl)isophthalonitrile In N,N-dimethyl-formamide; acetonitrile at 20℃; for 0.5h; Inert atmosphere; Sealed tube; Irradiation;	78%

: 6258-66-8
(4-chlorophenyl)methanethiol

: 1-(2-bromoethynyl)-2-nitrobenzene

: (4-chlorobenzyl)((2-nitrophenyl)ethynyl)sulfane

Conditions

Conditions	Yield
With 2,6-dimethylpyridine; tetrakis(actonitrile)copper(I) hexafluorophosphate; 4,4'-di-tert-butyl-2,2'-bipyridine In acetonitrile at 20℃; for 0.166667h; Reagent/catalyst; Inert atmosphere; Sealed tube; chemoselective reaction;	98%

: tert-butyl 4-(bromoethynyl)isoindoline-2-carboxylate

: 6258-66-8
(4-chlorophenyl)methanethiol

: tert-butyl 4-(((4-chlorobenzyl)thio)ethynyl)isoindoline-2-carboxylate

Conditions

Conditions	Yield
With 2,6-dimethylpyridine; tetrakis(actonitrile)copper(I) hexafluorophosphate; 4,4'-di-tert-butyl-2,2'-bipyridine In acetonitrile at 20℃; for 0.166667h; Reagent/catalyst; Inert atmosphere; Sealed tube; chemoselective reaction;	98%

: 13001-81-5
4-isothiocyanato-1-(methylsulfinyl)-1-butene

: 6258-66-8
(4-chlorophenyl)methanethiol

: 4-chlorobenzyl (E)-(4-(methylsulfinyl)but-3-en-1-yl)carbamodithioate

Conditions

Conditions	Yield
With sodium hydrogencarbonate In ethanol; water at 20℃; Inert atmosphere;	97.1%

: 6258-66-8
(4-chlorophenyl)methanethiol

: 23566-17-8
bis(4-chlorobenzyl)disulfide

Conditions

Conditions	Yield
With potassium fluoride on basic alumina for 0.0333333h; microwave irradiation;	97%
With (tetrabenzoporphinato)iron(II) In tetrahydrofuran at 20℃; under 760.051 Torr; for 0.333333h;	97%
With oxygen In water at 100℃; under 30002.4 Torr; for 2h;	95%

: 26555-40-8
Methoxycarbonylsulfenyl chloride

: 6258-66-8
(4-chlorophenyl)methanethiol

: 72050-05-6
(p-Chlorobenzyl)sulfenyl methyl thiocarbonate

Conditions

Conditions	Yield
	97%

: 6258-66-8
(4-chlorophenyl)methanethiol

: 29096-61-5
(7-methylimidazo<1,2-a>pyridin-3-yl)methanol

: 3-(4-chloro-benzylsulfanylmethyl)-7-methyl-imidazo[1,2-a]pyridine

Conditions

Conditions	Yield
With acetic acid at 80℃; for 2h;	97%

: 40983-58-2
methyl shikimate

: 6258-66-8
(4-chlorophenyl)methanethiol

: (1R,2S,3S,4S,5R)-2-(4-Chloro-benzylsulfanyl)-3,4,5-trihydroxy-cyclohexanecarboxylic acid methyl ester

Conditions

Conditions	Yield
With sodium methylate In methanol at 20℃; for 2h;	97%

: 100-52-7
benzaldehyde

: 6258-66-8
(4-chlorophenyl)methanethiol

: 23837-47-0
α.α-Bis-(4-chlor-benzylmercapto)-toluol

Conditions

Conditions	Yield
With butyl ethyl phenyl selenonium tetrafluoroborate at 20℃; for 2h;	97%

: 6258-66-8
(4-chlorophenyl)methanethiol

: 10199-89-0
NBD chloride

: 1458652-41-9
4-((4-chlorobenzyl)thio)-7-nitrobenzo[c][1,2,5]oxadiazole

Conditions

Conditions	Yield
With sodium methylate In ethanol at 20℃; for 1h;	97%
With sodium methylate In ethanol at 20℃; for 1h;	97%
In ethanol for 0.416667h; Reflux; Alkaline conditions;	83%

: 6258-66-8
(4-chlorophenyl)methanethiol

: 34298-00-5
(1S,9aR)-1-(chloromethyl)octahydro-2H-quinolizine

: (1S,9aR)-1-{{[(4-chlorophenyl)methyl]thio}methyl}-2H-quinolizine

Conditions

Conditions	Yield
With sodium hydroxide In ethanol for 6h; Heating;	96%

: 2004-06-0
6-Chloropurine riboside

: 6258-66-8
(4-chlorophenyl)methanethiol

: (2R,3R,4S,5R)-2-[6-(4-Chloro-benzylsulfanyl)-purin-9-yl]-5-hydroxymethyl-tetrahydro-furan-3,4-diol

Conditions

Conditions	Yield
Stage #1: 6-Chloropurine riboside With pyridine; trityl resin for 48h; Stage #2: (4-chlorophenyl)methanethiol With triethylamine In methanol at 55℃; for 5h; Stage #3: With chlorotriisopropylsilane; trifluoroacetic acid In dichloromethane for 0.166667h;	96%

: 6258-66-8
(4-chlorophenyl)methanethiol

: 614-47-1
1,3-diphenyl-propen-3-one

: 1255154-24-5
(3R)-3-[(4-chlorobenzyl)sulfanyl]-1,3-diphenylpropan-1-one

Conditions

Conditions	Yield
With C38H54ClFeN2O2 In 1,2-dichloro-ethane at -5℃; Temperature; enantioselective reaction;	96%
With C32H28F6N4O3 In toluene at 20℃; for 24h; sulfa-Michael addition; optical yield given as %ee; enantioselective reaction;	80%

: 1196-67-4
3-phenyl-2-butenal

: 6258-66-8
(4-chlorophenyl)methanethiol

: S-(4-chlorobenzyl) (R)-3-phenylbutanethioate

Conditions

Conditions	Yield
With 1,4-diaza-bicyclo[2.2.2]octane; BF4(1-)*C21H22N3O(1+); copper(II) bis(trifluoromethanesulfonate) In toluene at 20℃; for 4h; Molecular sieve; enantioselective reaction;	96%

: 33675-41-1
1-bromo-2-(4-methoxyphenyl)acetylene

: 6258-66-8
(4-chlorophenyl)methanethiol

: (4-chlorobenzyl)((4-methoxyphenyl)ethynyl)sulfane

Conditions

Conditions	Yield
With pyridine; (1,2-dimethoxyethane)dichloronickel(II); (4s,6s)-2,4,5,6-tetra(9H-carbazol-9-yl)isophthalonitrile In N,N-dimethyl-formamide; acetonitrile at 20℃; for 0.5h; Catalytic behavior; Reagent/catalyst; Inert atmosphere; Sealed tube; Irradiation;	96%
With 2,6-dimethylpyridine; tetrakis(actonitrile)copper(I) hexafluorophosphate; 4,4'-di-tert-butyl-2,2'-bipyridine In acetonitrile at 20℃; for 0.166667h; Inert atmosphere; Sealed tube; chemoselective reaction;	96%

: 6602-54-6
2-chloro-3-pyridinecarbonitrile

: 6258-66-8
(4-chlorophenyl)methanethiol

: 2-(4-chloro-phenyl)-thieno[2,3-b]pyridin-3-ylamine

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide at 60 - 120℃; for 28h;	95%

Product Name

4-Chlorobenzyl mercaptan

Synthetic route

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