1h-pyrazole-3-carboxylicacid, 5-(trifluoromethyl)-

1h-pyrazole-3-carboxylicacid, 5-(trifluoromethyl)- - Names and Identifiers

Name	5-TRIFLUOROMETHYL-1H-PYRAZOLE-3-CARBOXYLIC ACID
Synonyms	Albb-005389 3-Carboxy-5-(trifluoromethyl)-1H-pyrazole 5-Trifluoromethylpyrazole-3-carboxylic acid 3-(Trifluoromethyl)pyrazole-5-carboxylic Acid 5-TRIFLUOROMETHYL-1H-PYRAZOLE-3-CARBOXYLIC ACID 3-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid 1h-pyrazole-3-carboxylicacid, 5-(trifluoromethyl)- 1H-Pyrazole-3-carboxylic acid, 5-(trifluoromethyl)-
CAS	129768-28-1
InChI	InChI=1/C5H3F3N2O2/c6-5(7,8)3-1-2(4(11)12)9-10-3/h1H,(H,9,10)(H,11,12)

1h-pyrazole-3-carboxylicacid, 5-(trifluoromethyl)- - Physico-chemical Properties

Molecular Formula	C5H3F3N2O2
Molar Mass	180.08
Density	1.682±0.06 g/cm3(Predicted)
Melting Point	171 - 172°C
Boling Point	354.2±42.0 °C(Predicted)
Flash Point	168°C
Solubility	DMSO (Slightly), Methanol (Slightly)
Vapor Presure	1.26E-05mmHg at 25°C
Appearance	Solid
Color	White to Off-White
pKa	3.55±0.10(Predicted)
Storage Condition	under inert gas (nitrogen or Argon) at 2-8°C
Refractive Index	1.485

1h-pyrazole-3-carboxylicacid, 5-(trifluoromethyl)- - Risk and Safety

Risk Codes	R22 - Harmful if swallowed R20/21/22 - Harmful by inhalation, in contact with skin and if swallowed.
Safety Description	36/37 - Wear suitable protective clothing and gloves.
HS Code	29331990
Hazard Class	IRRITANT

1h-pyrazole-3-carboxylicacid, 5-(trifluoromethyl)- - Introduction

5-Trifluoromethylpyrazole-3-carboxylic acid (5-trifluoromethylpyrazole-3-carboxylic acid) is an organic compound. The following is an introduction to its nature, use, preparation and safety information.

Nature:
Chemical formula: C6H2F3N3O3
Molecular weight: 235.09g/mol
Appearance: White to light yellow crystalline powder
Melting point: 203-204°C
Solubility: Almost insoluble in water, slightly soluble in acid and alkali, soluble in organic solvents such as ethanol and dimethylformamide

Use:
5-Trifluoromethylpyrazole-3-carboxylic acid is a multifunctional intermediate, which has a wide range of applications in the field of drug synthesis and material science. It can be used in the preparation of antiviral drugs, pesticides and other biologically active compounds. In addition, it can also be used as a reagent in scientific research.

Preparation Method:
5-Trifluoromethylpyrazole-3-carboxylic acid can usually be synthesized by the following steps:
1. First, under alkaline conditions, 5-trifluoromethylpyrazole is reacted with dichloromethane to generate 5-trifluoromethylpyrazol-3-one.
2. Then, under acidic conditions, 5-trifluoromethylpyrazol-3-one is reacted with hydrocyanic acid to produce 5-trifluoromethylpyrazole-3-carbonitrile.
3. Finally, under strong alkaline conditions, 5-trifluoromethylpyrazole-3-carbonitrile is reacted with carbon monoxide and water to generate 5-trifluoromethylpyrazole-3-carboxylic acid.

Safety Information:
5-trifluoromethylpyrazole-3-carboxylic acid is relatively stable under general conditions, but contact with strong oxidants should be avoided to avoid moisture. Appropriate personal protective equipment should be worn during the operation and ensure that the operation is carried out in a well-ventilated laboratory. If you touch your skin or eyes by accident, rinse immediately with plenty of water and seek medical help.

Last Update：2024-04-09 21:01:54