72505-21-6

Basic information

• Product Name: 4-(Trifluoromethyl)thiobenzamide
• Synonyms: 4-(trifluoromethyl)thiobenzamine;4-(Trifluoromethyl)thiobenzamide98%;p-TrifuoromethylThioBenzamide;4-(trifluoromethyl)benzothioamide;4-(Tifluoromethyl)thiobenzamide, 98%;p-(Trifluoromethyl)thiobenzamide;4-(Trifluoromethyl)benzenecarbothioamide, 4-Carbamothioylbenzotrifluoride;4- threetrifluoroMethylthiobenzaMide
• CAS NO: 72505-21-6
• Molecular Formula: C₈H₆F₃NS
• Molecular Weight: 205.2
• EINECS: -0
• Product Categories: Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts;Phenyls & Phenyl-Het;Phenyls & Phenyl-Het
• Mol File: 72505-21-6.mol
• Article Data: 21

Chemical Properties

• Melting Point: 136-137 °C
• Boiling Point: 246 °C at 760 mmHg
• Flash Point: 102.6 °C
• Appearance: Yellow crystalline powder
• Density: 1.372 g/cm₃
• Storage Temp.: Refrigerator (+4°C)
• PKA: 12.04±0.29(Predicted)
• Sensitive: Stench
• BRN: 4672885
• CAS DataBase Reference: 4-(Trifluoromethyl)thiobenzamide(CAS DataBase Reference)
• NIST Chemistry Reference: 4-(Trifluoromethyl)thiobenzamide(72505-21-6)
• EPA Substance Registry System: 4-(Trifluoromethyl)thiobenzamide(72505-21-6)

Safety Data

• Hazard Codes: Xn,Xi,T
• Statements: 20/21/22-36/37/38
• Safety Statements: 36/37/39-26-22-36
• RIDADR: 2811
• HazardClass: 6.1
• PackingGroup: III
• Hazardous Substances Data: 72505-21-6(Hazardous Substances Data)

Usage

Chemical Properties

Yellow crystalline powder

InChI:InChI=1/C8H6F3NS/c9-8(10,11)6-3-1-5(2-4-6)7(12)13/h1-4H,(H2,12,13)

Upstream product

• 19172-47-5 Lawessons reagent 
• 1891-90-3 p-trifluoromethylbenzamide 
• 119514-24-8 2-(4-(trifluoromethyl)phenyl)thiazole 
• 455-18-5 4-CF₃C₆H₄CN 
• 62-55-5 thioacetamide 
• 455-19-6 4-Trifluoromethylbenzaldehyde 

Downstream Products

• 187998-90-9 ethyl 4-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylate 
• 175277-03-9 4-methyl-2-[4-(trifluoromethyl)phenyl]thiazole-5-carboxylic acid ethyl ester 
• 119514-24-8 2-(4-(trifluoromethyl)phenyl)thiazole 
• 144059-86-9 4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylic acid 
• 1253299-11-4 3,5-bis(4-(trifluoromethyl)phenyl)-1,2,4-thiadiazole 
• 680215-92-3 C₁₄H₁₂F₃NO₂S 
• 726174-61-4 5-chloromethyl-4-isopropyl-2-[4-(trifluoromethyl)phenyl]thiazole 
• 592519-45-4 4-isopropyl-2-[4-(trifluoromethyl)phenyl]thiazole-5-methanol 
• 515138-37-1 6-hydroxy-3-[2-[4-isopropyl-2-[4-(trifluoromethyl)phenyl]-5-thiazolyl]ethyl]-5-methyl-1,2-benzisoxazole 
• 515138-36-0 6-amino-3-[2-[4-isopropyl-2-[4-(trifluoromethyl)phenyl]-5-thiazolyl]ethyl]-5-methyl-1,2-benzisoxazole 
• 515138-28-0 6-hydroxy-3-[2-[2-[(4-trifluoromethyl)phenyl]-4-isopropyl-5-thiazolyl]ethyl]-1,2-benzisoxazole 

Relevant articles and documents

Aerobic Visible-Light Induced Intermolecular S?N Bond Construction: Synthesis of 1,2,4-Thiadiazoles from Thioamides under Photosensitizer-Free Conditions

Aerobic visible-light induced intermolecular S?N bond construction has been achieved without the addition of photosensitizer, metal, or base. With this strategy, 1,2,4-thiadiazoles can be obtained from thioamides. Preliminary mechanistic investigation suggested that the excited state of thioamides undergoes a single-electron-transfer (SET) process to afford thioamidyl radicals, which can be further transformed into a 1,2,4-thiadiazole through desulfurization and oxidative cyclization. The reaction has good functional group tolerance and represents a green method for the construction of S?N bonds.

COMPOUNDS FOR THIOL-TRIGGERED COS AND/OR H2S RELEASE AND METHODS OF MAKING AND USING THE SAME

Disclosed herein are embodiments of a compound that is capable of releasing COS and/or H2S upon reaction with a thiol-containing compound. The compound embodiments also can produce a detectable signal (e.g., a fluorescent signal) substantially concomitantly with COS and/or H2S release and/or can release an active agent, such as a therapeutic agent. Methods of making and using the compound embodiments also are disclosed.

A efficient protocol for the synthesis of thioamides in [DBUH][OAc] at room temperature

A novel, simple and eco-friendly method to synthesize thioamides from aryl nitriles and sodium sulfide (Na2S·9H2O) catalyzed by 1,8-diazabicyclo[5,4,0]undec-7-enium acetate ([DBUH][OAc]) ionic liquid (IL) at room temperature was developed in this paper. In this reaction, readily available inorganic salt (Na2S·9H2O) serves as the sulfur source, and various functional groups of aryl nitriles were well tolerated at room temperature. In addition, the products were easily separated from the IL which could be reused at least five times without considerable loss of its activity and applied in the green, concise synthesis of ethionamide.