1,5-Dimethyl-3-(trifluoromethyl)-1H-pyrazole

Basic Information

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CAS Number

79080-31-2

Molecular Formula

C6H7F3N2

Molecular Weight

164.13 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Electronic Chemicals Semiconductor Materials Etchants

Basic Physical Properties

Boiling Point

71°C/9mmHg

Density

1.166

Flash Point

45.634 °C

Refractive Index

1.4080-1.4120

SMILES

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CC1=CC(=NN1C)C(F)(F)F

InChI

InChI=1S/C6H7F3N2/c1-4-3-5(6(7,8)9)10-11(4)2/h3H,1-2H3

InChIKey

LGTRXZPAYGKNLP-UHFFFAOYSA-N

LogP

1.74732

Topological Polar Surface Area

17.82 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

145

Safety Information

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Hazard Statement

H226 Flammable liquid and vapor
Flammable liquids

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Hazard Class

Class 3 Class 3

Synonyms & References

English

SY050702
3-(trifluoromethyl)-1,5-dimethyl-1H-pyrazole
AKOS005167667
D5071
1,5-dimethyl-3-trifluoromethylpyrazole
1H-Pyrazole, 1,5-dimethyl-3-(trifluoromethyl)-
FT-0694322
1,5-dimethyl-3-(trifluoromethyl)-1H-pyrazole
CS-0095431
1,5-dimethyl-3-(trifluoromethyl)pyrazole
UFTTUMOZPUIMGS-UHFFFAOYSA-N
SCHEMBL3279759
MFCD04972844
A839575
79080-31-2
F30049
C6H7F3N2
DTXSID80508791
TS-02185
RPLAATKXXDGORN-UHFFFAOYSA-N
EN300-231322
1,5-Dimethyl-3-trifluoromethyl-1H-pyrazole
AM808069
1,5-Dimethyl-3-(trifluoromethyl)-1H-pyrazole
1,5-Dimethyl-3-(trifluoromethyl)pyrazole
1H-Pyrazole,1,5-dimethyl-3-(trifluoromethyl)-

MDL Number

MFCD04972844

Customs Code

2933199090

FAQ

What is 1,5-Dimethyl-3-(trifluoromethyl)-1H-pyrazole (CAS: 79080-31-2)?

1,5-Dimethyl-3-(trifluoromethyl)-1H-pyrazole is a chemical compound with the CAS number 79080-31-2. It is a heterocyclic organic compound with a pyrazole ring structure, containing methyl and trifluoromethyl substituents. This compound is characterized by its stability and unique electronic properties, making it useful in various applications.

What are the main uses of 1,5-Dimethyl-3-(trifluoromethyl)-1H-pyrazole (CAS: 79080-31-2)?

1,5-Dimethyl-3-(trifluoromethyl)-1H-pyrazole is primarily used in pharmaceuticals as an intermediate in the synthesis of drugs. It also has applications in the chemical industry for its catalytic properties and as a building block for other organic compounds. Additionally, it is used in research for its reactivity and structural features.

Is 1,5-Dimethyl-3-(trifluoromethyl)-1H-pyrazole (CAS: 79080-31-2) safe?

1,5-Dimethyl-3-(trifluoromethyl)-1H-pyrazole is generally considered safe when handled properly. However, it should be used with caution due to its flammable nature and potential to irritate the skin and eyes. Protective measures include wearing gloves, goggles, and appropriate laboratory clothing. Ensure adequate ventilation and avoid contact with heat sources.

How should 1,5-Dimethyl-3-(trifluoromethyl)-1H-pyrazole (CAS: 79080-31-2) be stored?

1,5-Dimethyl-3-(trifluoromethyl)-1H-pyrazole should be stored in a cool, dry place away from direct sunlight and heat sources. It should be kept in a tightly sealed container to prevent exposure to air and moisture. Store it in a well-ventilated area and follow all safety guidelines and regulations for handling and storage of flammable materials.