4-Chlorothiophenol

4-Chlorothiophenol Basic information

Product Name:	4-Chlorothiophenol
Synonyms:	4-Chlorothiophenol/4-Chlorobenzenethiol;4-Cyano-Acetophonene/4-CA;4-Chlorothiophenol 99%;4-chlorthiophenol;BENZENETHIOL,PARA-CHLORO-;4-CHLOROTHIOPENOL;4-Chlorobenzenethiol, 4-Chlorophenyl mercaptan;1-Chloro-4-mercaptobenzene
CAS:	106-54-7
MF:	C6H5ClS
MW:	144.62
EINECS:	203-408-9
Product Categories:	Phenol&Thiophenol&Mercaptan;Phenoles and thiophenoles;Aromatic Phenols;K00001
Mol File:	106-54-7.mol

4-Chlorothiophenol Chemical Properties

Melting point	49-51 °C(lit.)
Boiling point	205-207 °C(lit.)
density	1.1911
refractive index	1.5480
Fp	>230 °F
storage temp.	2-8°C
solubility	methanol: soluble
pka	pK1:5.9 (25°C)
form	Crystalline Solid
color	White to almost white
Water Solubility	insoluble
Sensitive	Stench/Lachrymatory
BRN	605971
InChIKey	VZXOZSQDJJNBRC-UHFFFAOYSA-N
CAS DataBase Reference	106-54-7(CAS DataBase Reference)
NIST Chemistry Reference	Benzenethiol, 4-chloro-(106-54-7)
EPA Substance Registry System	Benzenethiol, 4-chloro- (106-54-7)

Safety Information

Hazard Codes	C
Risk Statements	22-34-36/37-20/21/22
Safety Statements	26-36/37/39-45-27
RIDADR	UN 3261 8/PG 2
WGK Germany	3
RTECS	DC1050000
F	9-13-23
Hazard Note	Corrosive/Lachrymatory/Stench
TSCA	Yes
HazardClass	8
PackingGroup	III
HS Code	29309090

MSDS Information

Provider	Language
4-Chlorothiophenol	English
SigmaAldrich	English
ACROS	English
ALFA	English

4-Chlorothiophenol Usage And Synthesis

Chemical Properties	white to almost white crystalline solid
Uses	4-Chlorothiophenol was used to modify poly(vinyl chloride) and to synthesize poly(vinyl chloride) with halogen groups.
Uses	Oil additives, agricultural chemicals, plasticizers, rubber chemical, dyes, wetting agents, and stabilizers.
Synthesis Reference(s)	The Journal of Organic Chemistry, 27, p. 4455, 1962 DOI: 10.1021/jo01059a081 Synthetic Communications, 18, p. 575, 1988 DOI: 10.1080/00397918808064014
General Description	4-Chlorothiophenol undergoes oxidative coupling catalyzed by iron(III)-tetra phenyl prophyrin to form disulfides.
Hazard	Toxic by ingestion.
Purification Methods	Recrystallise the thiophenol from aqueous EtOH. The SMe ether has m 129o and the SEt ether has m 64o. [D'Sousa et al. J Org Chem 52 1720 1987, Beilstein 6 H 326, 6 I 149, 6 III 1034.]

4-Chlorothiophenol Preparation Products And Raw materials

Raw materials

Sulfuric acid-->Chlorosulfonic acid-->Chlorobenzene

Preparation Products

(5-CHLORO-1-BENZOTHIOPHEN-3-YL)METHYLAMINE-->(5-CHLORO-1-BENZOTHIOPHEN-3-YL)METHANOL-->3-(Bromomethyl)-5-chlorobenzo[b]thiophene-->5-CHLORO-BENZO[B]THIOPHENE-3-CARBOXYLIC ACID-->5-CHLORO-3-METHYLBENZO[B]THIOPHENE-2-SULFONAMIDE-->5-CHLORO-3-METHYLBENZO[B]THIOPHENE-2-SULFONYL CHLORIDE-->1-(5-CHLOROBENZO[B]THIOPHEN-3-YL)ETHANONE-->5-CHLORO-3-METHYLBENZO[B]THIOPHENE-->2-Chlorothioxanthone-->5-CHLOROBENZOTHIOPHENE-->CARBOPHENOTHION-->2-CHLORO-9-(3-(DIMETHYLAMINO)PROPYL)-TH&-->(4-CHLOROPHENYLTHIO)ACETONE-->CHLOROMETHYL 4-CHLOROPHENYL SULFIDE-->4-(4-CHLOROPHENYLTHIO)-3-NITROBENZALDEHYDE-->2-(4-chlorophenylthio)benzoic acid-->2-ACETYL-4'-CHLORO DIPHENYL SULFIDE-->4-CHLOROPHENYLSULFONYLACETONITRILE

P,O-ChloroThiophenol 4-CHLORO-3-NITROBENZENESULFONIC ACID, SODIUM SALT Tetrachloroterephthalonitrile PENTACHLOROBENZENETHIOL ZINC SALT O-CHLOROTHIOPHENOL,2-CHLOROTHIOPHENOL / 2-CHLOROBENZENETHIOL,2-Chlorothiophenol 98%,ORTHO-CHLOROTHIOPHENOL,2-CHLOROTHIOPHENOL CHLOROMETHYL 4-CHLOROPHENYL SULFIDE 4-CHLORO-1,3-BENZENEDITHIOL Sulfenone ACID YELLOW 34 (C.I. 18890) Chlorophenyl 2-CHLORO-5-(FLUOROSULFONYL)BENZOIC ACID 2-PROPOXY-5-CHLOROTHIOPHENOL 2-AMINO-5-CHLOROTHIOPHENOL 3,4-DICHLOROTHIOPHENOL SODIUM THIOPHENOXIDE 4-CHLOROPHENYL 2-CHLORO-1,1,2-TRIFLUOROETHYL SULFONE 4-CHLOROPHENYL SULFOXIDE 4,4'-Dichlorodiphenyl sulfone

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