ChemicalBook > CAS DataBase List > 4-(Trifluoromethyl)thiobenzamide

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
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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)
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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
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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.

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N-Bromosuccinimide Price

TCI Chemical
Product number
T2771
Product name
4-(Trifluoromethyl)thiobenzamide
Purity
>98.0%(HPLC)
Packaging
5g
Price
$40
Updated
2025/07/31
TCI Chemical
Product number
T2771
Product name
4-(Trifluoromethyl)thiobenzamide
Purity
>98.0%(HPLC)
Packaging
25g
Price
$158
Updated
2025/07/31
TRC
Product number
T896405
Product name
4-(Trifluoromethyl)thiobenzamide
Packaging
5g
Price
$60
Updated
2021/12/16
Matrix Scientific
Product number
007667
Product name
4-(Trifluoromethyl)thiobenzamide
Purity
97%
Packaging
5g
Price
$10
Updated
2021/12/16
AK Scientific
Product number
I364
Product name
4-Trifluoromethylthiobenzamide
Packaging
5g
Price
$10
Updated
2021/12/16
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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

2-[4-(TRIFLUOROMETHYL)PHENYL]-1,3-THIAZOLE-4-CARBALDEHYDE 4-METHYL-2-[4-(TRIFLUOROMETHYL)PHENYL]-1,3-THIAZOLE-5-CARBALDEHYDE
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4-(Trifluoromethyl)thiobenzamide Suppliers

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View Lastest Price from 4-(Trifluoromethyl)thiobenzamide manufacturers

Career Henan Chemical Co
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

72505-21-6, 4-(Trifluoromethyl)thiobenzamideRelated Search:

THIOBENZAMIDE 2-(TRIFLUOROMETHYL)THIOBENZAMIDE 98% 3-(TRIFLUOROMETHYL)THIOBENZAMIDE 4-CHLORO-3-TRIFLUOROMETHYL-THIOBENZAMIDE 3-(TRIFLUOROMETHYL)THIOBENZAMIDE 95+% 3,5-Bis(trifluoromethyl)thiobenzamide, 97% 3-Fluoro-4-(trifluoromethyl)thiobenzamide 2-TRIFLUOROMETHYL-THIOBENZAMIDE 4-(Trifluoromethyl)thiobenzamide 2,4-BIS-TRIFLUOROMETHYLTHIOBENZAMIDE 2-FLUORO-4-(TRIFLUOROMETHYL)THIOBENZAMIDE 3-FLUORO-4-(TRIFLUOROMETHYL)BENZENECARBOTHIOAMIDE 2,6-DICHLORO-4-(TRIFLUOROMETHYL)THIOBENZAMIDE 97%,2,6-Dichloro-4-(trifluoromethyl)thiobenzamide97%,2,6-DICHLORO-4-(TRIFLUOROMETHYL)THIOBENZAMIDE

  • 4-(trifluoromethyl)thiobenzamine
  • 4-(Trifluoromethyl)thiobenzamide98%
  • p-TrifuoromethylThioBenzamide
  • 4-(trifluoromethyl)benzothioamide
  • 4-(Tifluoromethyl)thiobenzamide, 98%
  • p-(Trifluoromethyl)thiobenzamide
  • 4- threetrifluoroMethylthiobenzaMide
  • 4-(Trifluoromethyl)benzenecarbothioamide, 4-Carbamothioylbenzotrifluoride
  • 4-(Trifluoromethyl)benzenecarbothioamide
  • BUTTPARK 43\57-98
  • 4-(TRIFLUOROMETHYL)THIOBENZAMIDE
  • 4-(TRIFLUOROMETHYL)BENZENE-1-CARBOTHIOAMIDE
  • 4-(Trifluoromethyl)thiobenzami
  • Benzenecarbothioamide, 4-(trifluoromethyl)-
  • 4-Trifuoromethyl Thiobenzamide p-Trifuoromethyl Thiobenzamide
  • 4-TRIFUOROMETHYL THIOBENZAMIDE
  • 4-(Trifluoromethyl)thiobenzamide, 98%min
  • 72505-21-6
  • C8H6F3NS
  • C8H6NF3S
  • Phenyls & Phenyl-Het
  • Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts
  • Phenyls & Phenyl-Het