ChemicalBook > CAS DataBase List > 5-TRIFLUOROMETHYL-1H-PYRAZOLE-3-CARBOXYLIC ACID

5-TRIFLUOROMETHYL-1H-PYRAZOLE-3-CARBOXYLIC ACID

Product Name
5-TRIFLUOROMETHYL-1H-PYRAZOLE-3-CARBOXYLIC ACID
CAS No.
129768-28-1
Chemical Name
5-TRIFLUOROMETHYL-1H-PYRAZOLE-3-CARBOXYLIC ACID
Synonyms
3-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid;5-Trifluoromethylpyrazole-3-carboxylic acid;Albb-005389;1H-Pyrazole-3-carboxylic acid, 5-(tri;3-Carboxy-5-(trifluoromethyl)-1H-pyrazole;3-(Trifluoromethyl)pyrazole-5-carboxylic Acid;5-TRIFLUOROMETHYL-1H-PYRAZOLE-3-CARBOXYLIC ACID;1H-Pyrazole-3-carboxylic acid, 5-(trifluoromethyl)-;3-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid(SALTDATA: FREE)
CBNumber
CB0669595
Molecular Formula
C5H3F3N2O2
Formula Weight
180.08
MOL File
129768-28-1.mol
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5-TRIFLUOROMETHYL-1H-PYRAZOLE-3-CARBOXYLIC ACID Property

Melting point:
171 - 172°C
Boiling point:
354.2±42.0 °C(Predicted)
Density 
1.682±0.06 g/cm3(Predicted)
storage temp. 
under inert gas (nitrogen or Argon) at 2-8°C
solubility 
DMSO (Slightly), Methanol (Slightly)
form 
Solid
pka
3.55±0.10(Predicted)
color 
White to Off-White
InChI
InChI=1S/C5H3F3N2O2/c6-5(7,8)3-1-2(4(11)12)9-10-3/h1H,(H,9,10)(H,11,12)
InChIKey
CIVNBJPTGRMGRS-UHFFFAOYSA-N
SMILES
N1C(C(F)(F)F)=CC(C(O)=O)=N1
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Safety

Hazard Codes 
Xi,Xn
Risk Statements 
22-20/21/22
Safety Statements 
36/37
HazardClass 
IRRITANT
HS Code 
29331990
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Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal word
Warning
Hazard statements

H320Causes eye irritation

Precautionary statements

P264Wash hands thoroughly after handling.

P264Wash skin thouroughly after handling.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

P337+P313IF eye irritation persists: Get medical advice/attention.

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N-Bromosuccinimide Price

TRC
Product number
T897605
Product name
3-(Trifluoromethyl)-1H-pyrazole-5-carboxylicAcid
Packaging
100mg
Price
$60
Updated
2021/12/16
TRC
Product number
T897605
Product name
3-(Trifluoromethyl)-1H-pyrazole-5-carboxylicAcid
Packaging
50mg
Price
$45
Updated
2021/12/16
TRC
Product number
T897605
Product name
3-(Trifluoromethyl)-1H-pyrazole-5-carboxylicAcid
Packaging
500mg
Price
$240
Updated
2021/12/16
Apolloscientific
Product number
PC200173
Product name
5-(Trifluoromethyl)-1H-pyrazole-3-carboxylicacid
Packaging
1g
Price
$280
Updated
2021/12/16
SynQuest Laboratories
Product number
4H21-3-35
Product name
5-(Trifluoromethyl)-1H-pyrazole-3-carboxylic acid
Packaging
500mg
Price
$320
Updated
2021/12/16
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5-TRIFLUOROMETHYL-1H-PYRAZOLE-3-CARBOXYLIC ACID Chemical Properties,Usage,Production

Chemical Properties

Off-white solid

Synthesis

881693-05-6

129768-28-1

General procedure for the synthesis of 5-trifluoromethylpyrazole-3-carboxylic acid from 1-benzyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid: liquid ammonia (ca. 50 mL) was condensed into a three-necked flask in an ethanol-dry ice bath, followed by the addition of 1-benzyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid (100 mg, 3.70 mmol). Sodium metal (about 260 mg, 11.3 mmol) was added to the reaction mixture in batches until the reaction solution showed a persistent blue color for more than 5 minutes. Upon completion of the reaction, the ammonia was allowed to evaporate naturally overnight. Water was added to the residue and acidified with 2N HCl solution to pH < 7. The aqueous phase was extracted twice with ethyl acetate, the organic phases were combined and dried over anhydrous sodium sulfate. The solvent was removed by concentration under reduced pressure to give 5-trifluoromethyl-2H-pyrazole-3-carboxylic acid (560 mg, 3.11 mmol, 84% yield) as a yellow solid with mass spectral data of MS m/z = 179.0 (API-). The product could be used in subsequent reactions without further purification.

References

[1] Patent: WO2007/68465, 2007, A1. Location in patent: Page/Page column 30
[2] Patent: US2006/69145, 2006, A1. Location in patent: Page/Page column 9; 14

5-TRIFLUOROMETHYL-1H-PYRAZOLE-3-CARBOXYLIC ACID Preparation Products And Raw materials

Raw materials

Hydrazinium hydroxide solution 1,1,1-Trifluoro-2,4-pentanedione Potassium permanganate

Preparation Products

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5-TRIFLUOROMETHYL-1H-PYRAZOLE-3-CARBOXYLIC ACID Suppliers

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View Lastest Price from 5-TRIFLUOROMETHYL-1H-PYRAZOLE-3-CARBOXYLIC ACID manufacturers

Career Henan Chemical Co
Product
5-TRIFLUOROMETHYL-1H-PYRAZOLE-3-CARBOXYLIC ACID 129768-28-1
Price
US $1.00/KG
Min. Order
1KG
Purity
97%-98%
Supply Ability
200KG
Release date
2019-09-03

129768-28-1, 5-TRIFLUOROMETHYL-1H-PYRAZOLE-3-CARBOXYLIC ACIDRelated Search:

5-(Trifluoromethyl)indole 5-Trifluoromethyl-pyridine-2-carbaldehyde 5-TRIFLUOROMETHYL-2H-PYRAZOLE-3-CARBOXYLIC ACID ETHYL ESTER 5-TRIFLUOROMETHYL-1H-PYRAZOLE-3-CARBOXYLIC ACID 1-Methyl-5-trifluoromethyl-1H-pyrazole-4-carboxylic acid ,97% 2-Methyl-5-trifluoromethyl-2H-pyrazole-3-carboxylic acid ,97% 1-Methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid ,97% ETHYL 3-(TRIFLUOROMETHYL)PYRAZOLE-4-CARBOXYLATE 1-Phenyl-5-trifluoromethyl-1H-pyrazole-4-carboxylic acid ethyl ester 5-Pyrazolecarboxylic acid 2-ETHYL-5-TRIFLUOROMETHYL-2H-PYRAZOLE-3-CARBOXYLIC ACID 1-(4-METHOXYPHENYL)-3-(TRIFLUOROMETHYL)-1H-PYRAZOLE-5-CARBOXYLIC ACID 2-(3-CYANO-4-FLUORO-PHENYL)-5-TRIFLUORO-METHYL-2H-PYRAZOLE-3-CARBOXYLIC ACID 1-ETHYL-5-TRIFLUOROMETHYL-1 H-PYRAZOLE-3-CARBOXYLIC ACID 4-CHLORO-1-METHYL-5-TRIFLUOROMETHYL-1 H-PYRAZOLE-3-CARBOXYLIC ACID 2-METHYL-5-TRIFLUOROMETHYL-2H-PYRAZOLE-3-CARBOXYLIC ACID 4-CHLORO-2-METHYL-5-TRIFLUOROMETHYL-2 H-PYRAZOLE-3-CARBOXYLIC ACID 4-BROMO-1-METHYL-5-(TRIFLUOROMETHYL)-1H-PYRAZOLE-3-CARBOXYLIC ACID

  • 5-TRIFLUOROMETHYL-1H-PYRAZOLE-3-CARBOXYLIC ACID
  • 3-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid
  • Albb-005389
  • 3-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid(SALTDATA: FREE)
  • 3-Carboxy-5-(trifluoromethyl)-1H-pyrazole
  • 1H-Pyrazole-3-carboxylic acid, 5-(trifluoromethyl)-
  • 5-Trifluoromethylpyrazole-3-carboxylic acid
  • 3-(Trifluoromethyl)pyrazole-5-carboxylic Acid
  • 1H-Pyrazole-3-carboxylic acid, 5-(tri
  • 129768-28-1
  • pharmacetical