Introduction：Basic information about 4-Chlorothiophenol CAS 106-54-7, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
4-Chlorothiophenol Basic information
| Product Name: | 4-Chlorothiophenol |
| Synonyms: | 4-Chlorothiophenol/4-Chlorobenzenethiol;4-Cyano-Acetophonene/4-CA;4-Chloro;4-Chlorothiophenol 99%;4-chlorthiophenol;PARA-CHLOROTHIOPHENOL;BENZENETHIOL,PARA-CHLORO-;4-CHLOROTHIOPENOL |
| 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 |
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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 |
| InChI | 1S/C6H5ClS/c7-5-1-3-6(8)4-2-5/h1-4,8H |
| InChIKey | VZXOZSQDJJNBRC-UHFFFAOYSA-N |
| SMILES | Sc1ccc(Cl)cc1 |
| 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 | TSCA listed |
| HazardClass | 8 |
| PackingGroup | III |
| HS Code | 29309090 |
| Storage Class | 8A - Combustible corrosive hazardous materials |
| Hazard Classifications | Acute Tox. 4 Oral
Skin Corr. 1B |
4-Chlorothiophenol Usage And Synthesis
| Chemical Properties | white to almost white crystalline solid |
| Uses | Oil additives, agricultural chemicals, plasticizers, rubber chemical, dyes, wetting agents, and stabilizers. |
| Uses | 4-Chlorothiophenol was used to modify poly(vinyl chloride) and to synthesize poly(vinyl chloride) with halogen groups. |
| 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 |
