Ethyl 5-(trifluoromethyl)-1H-pyrazole-3-carboxylate

Basic Information

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CAS Number

129768-30-5

Molecular Formula

C7H7F3N2O2

Molecular Weight

208.14 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

95°

Boiling Point

288.5±40.0 ºC (760 Torr),

Water Solubility

Slightly soluble in water.

Flash Point

128.3±27.3 ºC,

SMILES

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CCOC(=O)C1=NNC(=C1)C(F)(F)F

InChI

InChI=1S/C7H7F3N2O2/c1-2-14-6(13)4-3-5(12-11-4)7(8,9)10/h3H,2H2,1H3,(H,11,12)

InChIKey

AKFFNTKRAYWFRN-UHFFFAOYSA-N

LogP

1.6052

Topological Polar Surface Area

54.980000000000004 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

220

Safety Information

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Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

ethyl 5-(trifluoromethyl)-2H-pyrazole-3-carboxylate
129768-30-5
AC-29634
AKOS005070824
J-520820
5-(trifluoromethyl)-2H-pyrazole-3-carboxylic acid ethyl ester
1H-Pyrazole-3-carboxylic acid, 5-(trifluoromethyl)-, ethyl ester
Ethyl 3-trifluoromethyl-1H-pyrazole-5-carboxylate
IDI1_016629
DTXSID40369426
5-Trifluoromethyl-1H-pyrazole-3-carboxylic acid ethyl ester
Y10423
MFCD04111238
ethyl 3-(trifluoromethyl)-1H-pyrazole-5-carboxylate
ethyl 3-(trifluoromethyl)pyrazole-5-carboxylate
ethyl 5-(trifluoromethyl)-1H-pyrazole-3-carboxylate
SY039105
CS-0089749
Maybridge3_005242
ethyl 3-(trifluoromethyl)-1H-pyrazol-5-carboxylate
5-TRIFLUOROMETHYL-2H-PYRAZOLE-3-CARBOXYLIC ACID ETHYL ESTER
5-(trifluoromethyl)-1H-pyrazole-3-carboxylic acid ethyl ester;Ethyl 3-(Trifluoromethyl)pyrazole-5-carboxylate
6Z-0604
ERBIUMCARBONATE
SCHEMBL5064411
1H-Pyrazole-3-carboxylicacid,5-(trifluoromethyl)-,ethyl ester
SCHEMBL14955814
HMS1445O06
EN300-231244
AMY27592
Ethyl3-(Trifluoromethyl)pyrazole-5-carboxylate

MDL Number

MFCD04111238

Customs Code

2933199090

FAQ

What is Ethyl 5-(trifluoromethyl)-1H-pyrazole-3-carboxylate (CAS: 129768-30-5)?

Ethyl 5-(trifluoromethyl)-1H-pyrazole-3-carboxylate (CAS: 129768-30-5) is a chemical compound with a molecular formula C8H7F3N2O2. It is a colorless to light yellow liquid with a pungent odor. It is used in pharmaceuticals as an intermediate in the synthesis of other chemical compounds.

What are the main uses of Ethyl 5-(trifluoromethyl)-1H-pyrazole-3-carboxylate (CAS: 129768-30-5)?

Ethyl 5-(trifluoromethyl)-1H-pyrazole-3-carboxylate (CAS: 129768-30-5) is primarily used as a precursor in the pharmaceutical industry for the synthesis of drugs and other chemical compounds. It is also utilized in research and development activities.

Is Ethyl 5-(trifluoromethyl)-1H-pyrazole-3-carboxylate (CAS: 129768-30-5) safe?

Ethyl 5-(trifluoromethyl)-1H-pyrazole-3-carboxylate (CAS: 129768-30-5) is generally safe when handled with proper precautions. It is essential to wear gloves and protective eyewear during handling. Ensure good ventilation and avoid inhaling dust or fumes. Store away from heat and sources of ignition.

How should Ethyl 5-(trifluoromethyl)-1H-pyrazole-3-carboxylate (CAS: 129768-30-5) be stored?

Ethyl 5-(trifluoromethyl)-1H-pyrazole-3-carboxylate (CAS: 129768-30-5) should be stored in tightly sealed containers at room temperature (15-25°C) and kept away from direct sunlight. The storage area should be well-ventilated and dry. Avoid contact with heat, sparks, or flames.