4946-14-9

Basic information

• Product Name: (4-Isopropyl)thiophenol
• Synonyms: P-ISOPROPYLBENZENETHIOL;P-ISOPROPYL THIOPHENOL;4-ISOPROPYLTHIOPHENOL;4-ISOPROPYLBENZENETHIOL;(4-Isopropyl)thiophenol,95%;4-Isopropyl;(4-ISOPROPYL)THIOPHENOL / 4-ISOPROPYLBENZENETHIOL;4-iso-Propylphenyl mercaptan
• CAS NO: 4946-14-9
• Molecular Formula: C₉H₁₂S
• Molecular Weight: 152.26
• EINECS: -0
• Product Categories: Phenol&Thiophenol&Mercaptan;Phenoles and thiophenoles;Organic Building Blocks;Sulfur Compounds;Thiols/Mercaptans
• Mol File: 4946-14-9.mol
• Article Data: 8

Chemical Properties

• Boiling Point: 99-100 °C14 mm Hg(lit.)
• Flash Point: 223 °F
• Appearance: /
• Density: 0.979 g/mL at 25 °C(lit.)
• Vapor Pressure: 0.22mmHg at 25°C
• Refractive Index: n20/D 1.552(lit.)
• Storage Temp.: Refrigerator
• PKA: 6.79±0.10(Predicted)
• Sensitive: Stench
• BRN: 1906198
• CAS DataBase Reference: (4-Isopropyl)thiophenol(CAS DataBase Reference)
• NIST Chemistry Reference: (4-Isopropyl)thiophenol(4946-14-9)
• EPA Substance Registry System: (4-Isopropyl)thiophenol(4946-14-9)

Safety Data

• Hazard Codes: C
• Statements: 20/21/22-34
• Safety Statements: 26-36
• RIDADR: UN 2922 8/PG 2
• WGK Germany: 3
• HazardClass: 8
• PackingGroup: III
• Hazardous Substances Data: 4946-14-9(Hazardous Substances Data)

Usage

Chemical Properties

Clear colorless liquid

Uses

(4-Isopropyl)thiophenol is an important raw material and intermediate used in organic synthesis, pharmaceuticals agrochemicals and dyestuff fields.

General Description

4-Isopropylbenzenethiol is an aromatic thiol. It undergoes oxidation in the presence of activated carbon and xylene to afford the corresponding disulfide. 4-Isopropylbenzenethiol reacts with 2-chloro-3-formylquinolines and NaH in DMSO to afford the corresponding 2-(4-isopropylphenylthio)quinoline-3-carbaldehyde.

InChI:InChI=1/C9H12S/c1-7(2)8-3-5-9(10)6-4-8/h3-7,10H,1-2H3/p-1

Upstream product

• 98-82-8 Isopropylbenzene 
• 54997-90-9 4-isopropylbenzenesulfonyl chloride 
• 65398-59-6 Thiocarbonic acid S-(4-isopropyl-phenyl) ester O-methyl ester 

Downstream Products

• 91527-91-2 5-chloro-2-(4-isopropylfenylthio)acetophenone 
• 1055042-43-7 C₃₁H₄₇N₃O₇S₄ 
• 1054666-37-3 C₃₂H₄₉N₃O₇S₄ 
• 883993-25-7 [4-(4-isopropyl-phenylsulfanylmethyl)-phenyl]-acetic acid 
• 68600-06-6 <4-fluoro-2-(4-isopropylphenylthio)phenyl>acetic acid 
• 1086069-96-6 3-(4-iso-propylphenyl)thio-1-(2-tolyloxy)propane-2-ol 
• 1301265-06-4 C₂₆H₃₄N₄O₂S 
• 938224-53-4 3-((4-isopropylphenyl)thio)propanoic acid 
• 1581307-15-4 (3-chlorophenyl)(5-(4-isopropylphenylthio)-1,3-dimethyl-1H-pyrazol-4-yl)methanone 
• 1581307-18-7 (2,4-dichlorophenyl)(5-(4-isopropylphenylthio)-1,3-dimethyl-1H-pyrazol-4-yl)methanone 
• 1620193-15-8 [(η⁵-C₅Me₅)₂Rh₂(μ-SC₆H₄-p-Prⁱ)₃]Cl 
• 1620193-16-9 [(η⁵-C₅Me₅)₂Ir₂(μ-SC₆H₄-p-Prⁱ)₃]Cl 
• 1605290-38-7 3-((4-iso-propylphenyl)thio)-1H-indole 

Relevant articles and documents

Preparation method of alkyl-substituted thiophenol

The invention provides a preparation method of alkyl-substituted thiophenol. Alkyl-substituted benzene sulfonyl chloride is used as a raw material, a mixed solvent and acid are regarded as a reactionsystem, and under synergistic catalysis of metal and organophosphorus and reduction action of reductive salt, the alkyl-substituted thiophenol is obtained. The preparation method of the alkyl-substituted thiophenol has a high industrialized application value, an Iron powder reduction technology can be effectively replaced, the defects that an organic reducing system is high in cost, high in toxicity, difficult in post-treatment and the like are overcome, inorganic salt which is cheap and easy to get is used as a main reducing agent, through the synergistic catalysis action, the reducibility ofthe inorganic salt is significantly improved, the reaction yield stabilizes at 92% or above, and a technology has the characteristics of being simple and convenient to operate, short in production cycle, low in cost, clean, environmentally friendly and suitable for industrialized production.

Ring inversion dynamics of derivatives of thianthrene di- and tetraoxide

The ring inversion barrier for thianthrene tetraoxide was determined by making use of the variable temperature 13C NMR spectra of the 2,7-diisopropyl derivative (ΔG? = 6.5 kcal mol-1). The barrier is lower than that measured for a trans thianthrene dioxide derivative (ΔG? = 9.35 kcal mol-1). These results agree well with ab initio theoretical predictions.

Novel copolymers and superoxide dismutase modified with said copolymers

Described are copolymers comprising the copolymer--constituting units characterized in the claims and having an average molecular weight of 400 to 20,000. Furthermore superoxide dismutase (SOD) derivatives are described which can be obtained by modification with the above copolymers and have a single chemical structure, retain most of the enzymatic activity of SOD and exhibit a much prolonged plasma half-life. Therefore, they are useful as medicinal chemicals.