40248-84-8

Basic information

• Product Name: 3-Hydroxythiophenol
• Synonyms: 3-MERCAPTOPHENOL;3-HYDROXYTHIOPHENOL;3-HYDROXYBENZENETHIOL;M-HYDROXYBENZENETHIOL;m-Hydroxy Thiophenol;3-MERCAPTOPHENOL 98%;Phenol, 3-mercapto- (9CI);3-Hydroxy
• CAS NO: 40248-84-8
• Molecular Formula: C₆H₆OS
• Molecular Weight: 126.18
• Product Categories: THIOL;Phenol&Thiophenol&Mercaptan;Phenoles and thiophenoles;Miscellaneous
• Mol File: 40248-84-8.mol
• Article Data: 8

Chemical Properties

• Melting Point: 16-17 °C(lit.)
• Boiling Point: 242-243 °C(lit.)
• Flash Point: >230 °F
• Appearance: Clear colorless to pale yellow/Liquid
• Density: 1.237 g/mL at 25 °C(lit.)
• Vapor Pressure: 0.00967mmHg at 25°C
• Refractive Index: n20/D >1.6290(lit.)
• Storage Temp.: Inert atmosphere,Room Temperature
• PKA: 6.50±0.10(Predicted)
• Sensitive: Stench
• CAS DataBase Reference: 3-Hydroxythiophenol(CAS DataBase Reference)
• NIST Chemistry Reference: 3-Hydroxythiophenol(40248-84-8)
• EPA Substance Registry System: 3-Hydroxythiophenol(40248-84-8)

Safety Data

• Hazard Codes: Xi,Xn
• Statements: 36-36/37/38-20/21/22
• Safety Statements: 26-36-7/9
• RIDADR: UN 3334
• WGK Germany: 3
• HazardClass: IRRITANT, AIR SENSITIVE, STENCH
• Hazardous Substances Data: 40248-84-8(Hazardous Substances Data)

Usage

Chemical Properties

Colorless liquid

Uses

3-mercaptophenol may be used in the synthesis of the following:4-(3-hydroxyphenylthio)naphthalene-1,2-dione, which shows fluorosence emission[C6H4-1-(SPPh2)-3-(OPPh2)], a non-symmetric ligand which can combine with PdCl2 to form a pincer complex

General Description

3-mercaptophenol coated cantilevers can be used as formaldehyde sensors since it is highly selective towards formaldehyde and can show highest downward deflection on coming in contact with it.

InChI:InChI=1/C6H6OS/c7-5-2-1-3-6(8)4-5/h1-4,7-8H

Upstream product

• 15570-12-4 3-methoxybenzenethiol 
• 626-02-8 3-Iodophenol 
• 56157-93-8 3-hydroxybenzene-1-sulfonyl chloride 
• 22948-02-3 3-aminothiophenol 
• 36971-28-5 3-Bromo-(trimethylsilyloxy)benzene 
• 591-20-8 3-Bromophenol 
• 21101-56-4 3,3’-dihydroxydiphenyl disulfide 
• 7647-01-0 hydrogenchloride 
• 2388-74-1 1-methoxy-3-methylsulfanyl-benzene 

Downstream Products

• 21101-56-4 3,3’-dihydroxydiphenyl disulfide 
• 127906-79-0 2-(3-hydroxyphenylsulfanyl)benzoic acid 
• 76039-59-3 3-hydroxy-2'-nitrodiphenyl sulphide 
• 945773-87-5 C₁₁H₁₂O₄S 
• 943772-39-2 N-(3-bromo-phenyl)-4-(3-hydroxy-phenylsulfanyl)-3-nitro-benzamide 
• 1018987-20-6 C₁₃H₁₀N₂OS 
• 854756-97-1 12'-(3-hydroxyphenylsulfanyl)vincristine 
• 854607-23-1 11'-(3-hydroxyphenylsulfanyl)vinorelbine trifluoroacetate 
• 1035353-86-6 1,2,7,8,9,10,11,13-octahydro-4-(3-hydroxyphenylthio)-13-oxo-[1]benzothieno[2',3':4,5]pyrimido[1,2-a]azepine-3-carboxaldehyde 
• 1235513-71-9 C₂₂H₂₇NO₃S 
• 1337894-77-5 C₃₅H₃₆F₂O₇S 
• 1337894-79-7 C₁₄H₁₂O₂S 
• 1429126-15-7 C₁₀H₈O₄S 
• 1429126-58-8 C₂₀H₂₀N₂O₂S 

Relevant articles and documents

Improved 3-hydroxythiophenol synthesis

Hydroxythiophenols have provided access to a number of unique heterocycles. Historically, access to 3-hydroxythiophenol has been challenging because of inefficiencies and prohibitive cost. A straightforward and efficient route to 3-hydroxythiphenol has been devised.

Copper-Catalyzed Direct Synthesis of Aryl Thiols from Aryl Iodides Using Sodium Sulfide Aided by Catalytic 1,2-Ethanedithiol

A copper-catalyzed direct and effective synthesis of aryl thiols from aryl iodides using readily available Na 2 S·9H 2 O and 1,2-ethanedithiol was described. A variety of aryl thiols were readily obtained in yields of 76-99%. In this protocol, Na 2 S·9H 2 O was used as ultimate sulfur source, and 1,2-ethanedithiol functioned as an indispensable catalytic reagent.

Practical and scaleable syntheses of 3-hydroxythiophenol

3-Hydroxythiophenol is a versatile intermediate for the synthesis of medicinal and heterocyclic compounds. Two novel and practical syntheses of 3-hydroxythiophenol are achieved using readily available and inexpensive starting materials. An overall cost comparison of these syntheses is also given.