13414-95-4

Basic information

• Product Name: 4-KETO-4,5,6,7-TETRAHYDROTHIANAPHTHENE
• Synonyms: 4-OXO-4,5,6,7-TETRAHYDROBENZO[B]THIOPHENE;4-OXO-4,5,6,7-TETRAHYDROTHIANAPHTHENE;4-KETO-4,5,6,7-TETRAHYDROTHIANAPHTHENE;RARECHEM AK MA K003;4-Oxotetrahydrobenzo(b)thiophene;4-Keto-4,5,6,7-tetrahydrothianaphthalene;4-Keto-4,5,6,7-tetrahydrothianaphthene, GC 97%;TETRAHYDROBENZO(B)THIOPHEN-4-ONE
• CAS NO: 13414-95-4
• Molecular Formula: C₈H₈OS
• Molecular Weight: 152.21
• EINECS: 236-510-7
• Product Categories: Heterocyclic Compounds
• Mol File: 13414-95-4.mol

Chemical Properties

• Melting Point: 38-40 °C(lit.)
• Boiling Point: 120 °C (10 mmHg)
• Flash Point: >230 °F
• Appearance: White to yellow/Low Melting Solid or Liquid After Melting
• Density: 1.245g/cm³
• Vapor Pressure: 0.000591mmHg at 25°C
• Refractive Index: 1.5895-1.5915
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• Solubility: Soluble in chloroform.
• BRN: 112276
• CAS DataBase Reference: 4-KETO-4,5,6,7-TETRAHYDROTHIANAPHTHENE(CAS DataBase Reference)
• NIST Chemistry Reference: 4-KETO-4,5,6,7-TETRAHYDROTHIANAPHTHENE(13414-95-4)
• EPA Substance Registry System: 4-KETO-4,5,6,7-TETRAHYDROTHIANAPHTHENE(13414-95-4)

Safety Data

• Hazard Codes: Xn
• Statements: 22
• Safety Statements: 22-24/25-36/37/39-26
• WGK Germany: 3
• TSCA: Yes
• HazardClass: IRRITANT
• Hazardous Substances Data: 13414-95-4(Hazardous Substances Data)

Usage

Uses

Used in Organic Synthesis:
4-KETO-4,5,6,7-TETRAHYDROTHIANAPHTHENE is used as a key intermediate for the synthesis of various organic compounds, contributing to the development of new chemical entities and materials.
Used in Pharmaceuticals:
In the pharmaceutical industry, 4-KETO-4,5,6,7-TETRAHYDROTHIANAPHTHENE is utilized as a crucial building block in the production of medicinal compounds, potentially leading to the discovery of novel drugs and treatments.
Used in Agrochemicals:
4-KETO-4,5,6,7-TETRAHYDROTHIANAPHTHENE is employed as a vital component in the synthesis of agrochemicals, such as pesticides and herbicides, to enhance crop protection and yield.
Used in Dyestuffs:
4-KETO-4,5,6,7-TETRAHYDROTHIANAPHTHENE is also used as an essential intermediate in the dyestuffs industry, playing a role in the creation of various dyes and pigments for different applications.
Used in Medicine:
4-KETO-4,5,6,7-TETRAHYDROTHIANAPHTHENE is utilized in the medical field, potentially contributing to the development of new therapeutic agents and diagnostic tools.

Synthesis Reference(s)

Journal of Heterocyclic Chemistry, 17, p. 87, 1980 DOI: 10.1002/jhet.5570170118

InChI:InChI=1/C8H8OS/c9-7-2-1-3-8-6(7)4-5-10-8/h1-2H,3-5H2

Upstream product

• 58372-62-6 4-(thiophen-2-yl)butanoyl chloride 
• 4653-08-1 4-oxo-4-thiophen-2-yl-butyric acid 
• 71189-30-5 4,5,6,7-tetrahydro-benzo[b]thiophen-4-ol 
• 4653-11-6 2-thiophenebutyric acid 
• 123-62-6 propionic acid anhydride 
• 108-24-7 acetic anhydride 
• 2051-49-2 n-hexanoic anhydride 
• 71-43-2 benzene 
• 98263-34-4 bis<4,5,6,7-tetrahydrothianaphthen-4-ylidene>hydrazine 

Downstream Products

• 25074-25-3 4,5,6,7-tetrahydro-2-bromo-4-oxobenzo(b)thiophene 
• 58094-17-0 4,5,6,7-tetrahydrobenzo[b]thiophen-4-amine 
• 36914-08-6 4-phenyl-6,7-dihydrobentothiopene 
• 211387-65-4 4-(4-chlorophenyl)-6,7-dihydrobenzothiophene 
• 71189-30-5 4,5,6,7-tetrahydro-benzo[b]thiophen-4-ol 
• 251538-99-5 5-(4-chlorobenzylidene)-6,7-dihydrobenz[b]thiophen-4-one 
• 507477-13-6 (+/-)-5-fluoro-6,7-dihydrobenzo[b]thiopen-4(5H)-one 
• 623156-53-6 4-chloro-4-(2,4,6-trichlorophenylazo)-6,7-dihydrobenzo[b]thiophene 
• 112101-62-9 methyl 2-benzoyl-6,7-dihydrobenzothiophene-5-carboxylate 
• 112101-54-9 methyl 2-(phenylhydroxymethyl)-6,7-dihydrobenzothiophene-5-carboxylate 
• 112101-40-3 methyl 2-(1-imidazolylphenylmethyl)-6,7-dihydrobenzothiophene-5-carboxylate 
• 119971-61-8 methyl 2-(1-imidazolylphenylmethyl)-4,5,6,7-tetrahydrobenzothiophene-5-carboxylate 
• 119971-59-4 2-(1-imidazolylphenylmethyl)-4,5,6,7-tetrahydrobenzothiophene-5-carboxylic acid hydrochloride 
• 112101-41-4 sodium 2-(1-imidazolylphenylmethyl)-6,7-dihydrobenzothiophene-5-carboxylate 

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