4-(Trifluoromethyl)thiobenzamide
- Product Name
- 4-(Trifluoromethyl)thiobenzamide
- CAS No.
- 72505-21-6
- Chemical Name
- 4-(Trifluoromethyl)thiobenzamide
- Synonyms
- BUTTPARK 43\57-98;p-TrifuoromethylThioBenzamide;4-(Trifluoromethyl)thiobenzami;4-TRIFUOROMETHYL THIOBENZAMIDE;4-(TRIFLUOROMETHYL)THIOBENZAMIDE;p-(Trifluoromethyl)thiobenzamide;4-(trifluoromethyl)thiobenzamine;4-(trifluoromethyl)benzothioamide;4-(Trifluoromethyl)thiobenzamide98%;4- threetrifluoroMethylthiobenzaMide
- CBNumber
- CB8338598
- Molecular Formula
- C8H6F3NS
- Formula Weight
- 205.2
- MOL File
- 72505-21-6.mol
4-(Trifluoromethyl)thiobenzamide Property
- Melting point:
- 136-137 °C
- Boiling point:
- 246.0±50.0 °C(Predicted)
- Density
- 1.372±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,2-8°C
- pka
- 12.04±0.29(Predicted)
- form
- powder to crystal
- color
- Light yellow to Yellow to Green
- Sensitive
- Stench
- BRN
- 4672885
- InChI
- InChI=1S/C8H6F3NS/c9-8(10,11)6-3-1-5(2-4-6)7(12)13/h1-4H,(H2,12,13)
- InChIKey
- IPRFNMJROWWFBH-UHFFFAOYSA-N
- SMILES
- C1(C(N)=S)=CC=C(C(F)(F)F)C=C1
- CAS DataBase Reference
- 72505-21-6(CAS DataBase Reference)
- NIST Chemistry Reference
- 4-(Trifluoromethyl)thiobenzamide(72505-21-6)
Safety
- Hazard Codes
- Xn,Xi,T
- Risk Statements
- 20/21/22-36/37/38
- Safety Statements
- 36/37/39-26-22-36
- RIDADR
- 2811
- Hazard Note
- Irritant/Stench
- HazardClass
- 6.1
- PackingGroup
- III
- HS Code
- 29309090
Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Danger
- Hazard statements
-
H302Harmful if swallowed
H315Causes skin irritation
H319Causes serious eye irritation
H331Toxic if inhaled
H335May cause respiratory irritation
- Precautionary statements
-
P261Avoid breathing dust/fume/gas/mist/vapours/spray.
P304+P340IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.
P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
P405Store locked up.
N-Bromosuccinimide Price
- Product number
- T2771
- Product name
- 4-(Trifluoromethyl)thiobenzamide
- Purity
- >98.0%(HPLC)
- Packaging
- 5g
- Price
- $40
- Updated
- 2025/07/31
- Product number
- T2771
- Product name
- 4-(Trifluoromethyl)thiobenzamide
- Purity
- >98.0%(HPLC)
- Packaging
- 25g
- Price
- $158
- Updated
- 2025/07/31
- Product number
- T896405
- Product name
- 4-(Trifluoromethyl)thiobenzamide
- Packaging
- 5g
- Price
- $60
- Updated
- 2021/12/16
- Product number
- PC7769F
- Product name
- 4-(Trifluoromethyl)thiobenzamide
- Purity
- 98%
- Packaging
- 100g
- Price
- $85
- Updated
- 2021/12/16
- Product number
- 007667
- Product name
- 4-(Trifluoromethyl)thiobenzamide
- Purity
- 97%
- Packaging
- 100g
- Price
- $112
- Updated
- 2021/12/16
4-(Trifluoromethyl)thiobenzamide Chemical Properties,Usage,Production
Chemical Properties
Yellow crystalline powder
Synthesis
455-18-5
72505-21-6
The general procedure for the synthesis of 4-(trifluoromethyl)thiobenzamide from 4-trifluoromethylbenzonitrile was as follows: 500 mg (2.92 mmol) of 4-trifluoromethylbenzonitrile was reacted with 702 mg (8.7 mmol) of sodium thiohydride for 3 hr at 60 °C. Ethanol was used as a solvent during the reaction, and the ethanol was removed by distillation after the reaction was completed. Subsequently, ethyl acetate was added to the reaction mixture and the resulting solution was washed with water. The organic layer was dried with anhydrous magnesium sulfate and then the solvent was removed by distillation. The residue was purified by column chromatography to give 517 mg (95% yield) of 4-(trifluoromethyl)thiobenzamide. The product could be used in the next step of the reaction without further purification. Mass spectrometry (EI) showed a molecular ion peak of 152 (M++1).
References
[1] Journal of Medicinal Chemistry, 2014, vol. 57, # 8, p. 3213 - 3222
[2] Patent: WO2005/40127, 2005, A1. Location in patent: Page/Page column 100-101
[3] Journal of Fluorine Chemistry, 2006, vol. 127, # 1, p. 63 - 67
[4] Patent: WO2004/6922, 2004, A1. Location in patent: Page/Page column 27; 28
[5] RSC Advances, 2018, vol. 8, # 1, p. 170 - 175
4-(Trifluoromethyl)thiobenzamide Preparation Products And Raw materials
Raw materials
Preparation Products
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View Lastest Price from 4-(Trifluoromethyl)thiobenzamide manufacturers
- Product
- 4-(Trifluoromethyl)thiobenzamide 72505-21-6
- Price
- US $8.00/kg
- Min. Order
- 1kg
- Purity
- 99%
- Supply Ability
- 10tons
- Release date
- 2018-12-24