3-(Trifluoromethyl)-1H-pyrazole

Basic Information

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CAS Number

20154-03-4

Molecular Formula

C4H3F3N2

Molecular Weight

136.08 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

Melting Point

47.0 to 51.0 deg-C

Boiling Point

98°C/17mmHg

Flash Point

61.3℃

Refractive Index

1.444

SMILES

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C1=C(NN=C1)C(F)(F)F

InChI

InChI=1S/C4H3F3N2/c5-4(6,7)3-1-2-8-9-3/h1-2H,(H,8,9)

InChIKey

PYXNITNKYBLBMW-UHFFFAOYSA-N

LogP

1.4284999999999997

Topological Polar Surface Area

28.68 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

101

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

20154-03-4
3-(trifluormethyl)-pyrazole
3-trifluromethyl-pyrazol
3-(trifluoromethyl)-1H-pyrazole
MFCD09860582
A4396
AMY5400
3-trifluoromethyl-1h-pyrazole
5-Trifluoromethyl-1H-pyrazole
AKOS000309306
W-206487
3-trifluoromethyl pyrazole
EN300-42356
AM20090148
5-(trifluoromethyl)-1H-pyrazole
5-trifluoromethylpyrazole
AB03471
3-Trifluoromethylpyrazole
DTXSID00942198
CS-W009187
SCHEMBL158876
T2765
5-(triluoromethyl)-1H-pyrazole
Z56761682
AC-4792
FT-0613958
3-trifluoromethyl-pyrazole
BCP26510
trifluoromethylpyrazole
CHEBI:195142
3-(Trifluoromethyl)pyrazole

MDL Number

MFCD00115018

Customs Code

2942000000

FAQ

What is 3-(Trifluoromethyl)-1H-pyrazole (CAS: 20154-03-4)?

3-(Trifluoromethyl)-1H-pyrazole (CAS: 20154-03-4) is a heterocyclic organic compound with the molecular formula C5H3F3N. It has a characteristic odor and is known for its stability. This compound is used as a precursor in the synthesis of pharmaceuticals and agrochemicals due to its unique chemical structure.

What are the main uses of 3-(Trifluoromethyl)-1H-pyrazole (CAS: 20154-03-4)?

3-(Trifluoromethyl)-1H-pyrazole (CAS: 20154-03-4) is primarily used in pharmaceutical and agrochemical industries. It serves as a key intermediate in the synthesis of various drugs and pesticides. Additionally, it is used in research for developing new compounds with specific biological activities.

Is 3-(Trifluoromethyl)-1H-pyrazole (CAS: 20154-03-4) safe?

3-(Trifluoromethyl)-1H-pyrazole (CAS: 20154-03-4) can be considered relatively safe when handled with appropriate precautions. However, it should be stored away from direct sunlight and heat sources. Protective measures include wearing gloves and goggles to prevent skin and eye contact. Proper ventilation is also necessary during handling.

How should 3-(Trifluoromethyl)-1H-pyrazole (CAS: 20154-03-4) be stored?

3-(Trifluoromethyl)-1H-pyrazole (CAS: 20154-03-4) should be stored in a cool, dry place away from direct sunlight and heat sources. It is recommended to keep it in a tightly sealed container to prevent moisture and light exposure. Storage temperature should not exceed 25°C, and it is advisable to use a dark container to protect it from light. Handle with care to avoid spills or contamination.