3-Bromo-5-(trifluoromethyl)-1H-pyrazole

Basic Information

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CAS Number

93608-11-8

Molecular Formula

C4H2BrF3N2

Molecular Weight

214.97 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

Basic Physical Properties

SMILES

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C1=C(NN=C1Br)C(F)(F)F

InChI

InChI=1S/C4H2BrF3N2/c5-3-1-2(9-10-3)4(6,7)8/h1H,(H,9,10)

InChIKey

ULONMXISWOZBAK-UHFFFAOYSA-N

LogP

2.191

Topological Polar Surface Area

28.68 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

126

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

Synonyms & References

English

3-Bromo-5-(trifluoromethyl)-1H-pyrazole
3-Bromo-5-(trifluoromethyl)pyrazole
5-Bromo-3-(trifluoromethyl)-1H-pyrazole
3-Brom-5-tert-butylsalicylsaeure
3-Brom-5-trifluormethyl-pyrazol
1H-Pyrazole, 3-bromo-5-(trifluoromethyl)-
ULONMXISWOZBAK-UHFFFAOYSA-N
STL434969
5829AJ
AB68547
AB65796
SY032370
ST24041890
3-Bromo-5-(trifluoromethyl)-1H-pyrazole (ACI)
3-bromo-5-(trifluoromethyl)-1H-pyrazole
93608-11-8
19968-16-2
AKOS015997378
SCHEMBL18758433
SCHEMBL3693279
DB-117170
5-BROMO-3-(TRIFLUOROMETHYL)-1H-PYRAZOLE
3-BROMO-5-(TRIFLUOROMETHYL)-1H-PYRAZOLE
MFCD12755885
AKOS022183354
EN300-257599
DS-17294
AC1749

MDL Number

MFCD12755885

Customs Code

2933199090

FAQ

What are the physical and chemical properties of 3-Bromo-5-(trifluoromethyl)-1H-pyrazole (CAS: 93608-11-8)?

3-Bromo-5-(trifluoromethyl)-1H-pyrazole (CAS: 93608-11-8) is a crystalline solid with a molecular weight of 243.01 g/mol. It is poorly soluble in water but soluble in organic solvents like dichloromethane and acetonitrile. It exhibits moderate reactivity, particularly under basic conditions, and is prone to nucleophilic substitution reactions.

How is 3-Bromo-5-(trifluoromethyl)-1H-pyrazole (CAS: 93608-11-8) typically synthesized?

3-Bromo-5-(trifluoromethyl)-1H-pyrazole can be synthesized via a Swern oxidation of 5-(trifluoromethyl)-1H-pyrazole followed by bromination. The reaction typically involves the use of oxalyl chloride and dimethyl sulfoxide as the reagents, and the yield can reach up to 85%.

What industries use 3-Bromo-5-(trifluoromethyl)-1H-pyrazole (CAS: 93608-11-8)?

3-Bromo-5-(trifluoromethyl)-1H-pyrazole is used in the pharmaceutical and chemical industry for the preparation of intermediates. It is also employed in the development of new materials for sensors and semiconductors due to its unique electronic and structural properties.

What precautions should be taken when handling 3-Bromo-5-(trifluoromethyl)-1H-pyrazole (CAS: 93608-11-8)?

When handling 3-Bromo-5-(trifluoromethyl)-1H-pyrazole (CAS: 93608-11-8), it is important to use appropriate personal protective equipment (PPE) such as gloves, safety goggles, and lab coat. Work should be conducted in a well-ventilated area or fume hood. Spills should be managed using appropriate absorbents and disposed of according to local regulations. Always refer to the Safety Data Sheet (SDS) for detailed safety information.