5-(4-Chlorophenyl)-1-(4-methoxyphenyl)-3-(trifluoromethyl)-1H-pyrazole

Basic Information

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CAS Number

188817-13-2

Molecular Formula

C17H12ClF3N2O

Molecular Weight

352.74 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Ethers

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

Melting Point

61.0 to 65.0 deg-C

Boiling Point

440.6±45.0°C at 760 mmHg

Flash Point

220.3°C

Solubility

DMSO: >20mg/mL

Refractive Index

1.563

SMILES

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COC1=CC=C(C=C1)N2C(=CC(=N2)C(F)(F)F)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H12ClF3N2O/c1-24-14-8-6-13(7-9-14)23-15(10-16(22-23)17(19,20)21)11-2-4-12(18)5-3-11/h2-10H,1H3

InChIKey

PQUGCKBLVKJMNT-UHFFFAOYSA-N

LogP

5.220100000000003

Topological Polar Surface Area

27.05 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

407

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

PQUGCKBLVKJMNT-UHFFFAOYSA-N
NCGC00015933-01
R10005
BDBM13065
6QX8U7AHB4
NCGC00094361-02
SR-01000076122
DS-9468
5-(4-Chlorophenyl)-1-(4-methoxyphenyl)-3-trifluoromethylpyrazole
CHEBI:76274
EU-0101086
HMS3268E05
NCGC00015933-04
Q27145845
1H-Pyrazole, 5-(4-chlorophenyl)-1-(4-methoxyphenyl)-3-(trifluoromethyl)-
DTXSID00401775
Lopac-S-2064
SCHEMBL676921
1H-Pyrazole,5-(4- chlorophenyl)-1-(4-Methoxyphenyl)-3-(trifluoroMethyl)-
HMS3412J17
NCGC00015933-02
SR-01000076122-2
CHEMBL26915
A912521
HY-59105
CS-7835
SC-560 - CAS 188817-13-2
AMY40966
Lopac0_001086
EX-A1507
NCGC00094361-01

MDL Number

MFCD02179214

Customs Code

2933199090

FAQ

What regulatory guidelines apply to 5-(4-Chlorophenyl)-1-(4-methoxyphenyl)-3-(trifluoromethyl)-1H-pyrazole (CAS: 188817-13-2)?

This compound falls under various regulatory guidelines such as the Chemicals in the European Union (REACH) registration, the Globally Harmonized System of Classification and Labelling of Chemicals (GHS), and the U.S. EPA’s TSCA (Toxic Substances Control Act). Regulatory requirements include safety data sheets (SDS), proper labeling, and reporting of releases and transfers. Additionally, FDA regulations may apply if it is used in pharmaceuticals.

Are there alternatives to 5-(4-Chlorophenyl)-1-(4-methoxyphenyl)-3-(trifluoromethyl)-1H-pyrazole (CAS: 188817-13-2) in synthesis?

Alternative reagents for synthesis include other pyrazoles with different substituents. For instance, 5-(4-bromophenyl)-1-(4-methoxyphenyl)-3-(trifluoromethyl)-1H-pyrazole or 5-(4-iodophenyl)-1-(4-methoxyphenyl)-3-(trifluoromethyl)-1H-pyrazole can be used as alternatives. These compounds offer similar functionalities with variations in reactivity and properties.

What is the market or research trend for 5-(4-Chlorophenyl)-1-(4-methoxyphenyl)-3-(trifluoromethyl)-1H-pyrazole (CAS: 188817-13-2)?

The market for this compound is growing due to its applications in pharmaceuticals and agrochemicals. Research trends focus on its use as an intermediate in drug development and as a potential antifungal agent. Market demand is driven by its unique chemical properties and the increasing need for novel compounds in the pharmaceutical industry.

How should waste containing 5-(4-Chlorophenyl)-1-(4-methoxyphenyl)-3-(trifluoromethyl)-1H-pyrazole (CAS: 188817-13-2) be handled?

Waste containing this compound should be collected in labeled containers and stored in a secure location. It should be treated by incineration or a professional waste disposal service that complies with local regulations. Proper handling includes using personal protective equipment (PPE) and following safety guidelines to prevent exposure. Environmental protection measures include minimizing contamination of soil and water resources during disposal.