4-Bromo-1-trityl-1H-pyrazole

Basic Information

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CAS Number

95162-14-4

Molecular Formula

C22H17BrN2

Molecular Weight

389.3 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

186-188 ºC (hexane )

Density

1.27±0.1 g/cm3 (20 ºC 760 Torr),

Solubility

Insuluble (7.4E-4 g/L) (25 ºC),

SMILES

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C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)N4C=C(C=N4)Br

InChI

InChI=1S/C22H17BrN2/c23-21-16-24-25(17-21)22(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-17H

InChIKey

CPENTLJGGGSVAJ-UHFFFAOYSA-N

LogP

5.485800000000004

Topological Polar Surface Area

17.82 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

363

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

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

4-Bromo-1-trityl-1H-pyrazole
4-Bromo-1-tritylpyrazole
1H-Pyrazole,4-bromo-1-(triphenylmethyl)-
4-Bromo-1-trityl-1H-pyraziole
4-bromo-1-(triphenylmethyl)-1H-pyrazole
1H-Pyrazole, 4-bromo-1-(triphenylmethyl)-
N-trityl-4-bromopyrazole
4-bromo-1-N-tritylpyrazole
1-Trityl-4-bromo-1H-pyrazole
4-bromo-1-trityl-1-H-pyrazole
CPENTLJGGGSVAJ-UHFFFAOYSA-N
RB3227
6345AC
TRA0007730
AM62736
SC-
4-Bromo-1-(triphenylmethyl)-1H-pyrazole (ACI)
Pyrazole, 4-bromo-1-trityl- (7CI)
4-Bromo-1-triphenylmethyl-1H-pyrazole
VDA16214
SCHEMBL511015
CHEMBL4919985
4-BROMO-1-(TRIPHENYLMETHYL)PYRAZOLE
AKOS016002521
1H-PYRAZOLE,4-BROMO-1-(TRIPHENYLMETHYL)-
AS-9018
4-BROMO-1-TRITYL-1H-PYRAZOLE
DTXSID90445567
95162-14-4
MFCD09907863
SY023837

MDL Number

MFCD09907863

Customs Code

2933199090

FAQ

What is 4-Bromo-1-trityl-1H-pyrazole (CAS: 95162-14-4)?

4-Bromo-1-trityl-1H-pyrazole is an organic compound with the CAS number 95162-14-4. It has the chemical formula C17H12BrN2. This compound is characterized by its yellow-brown crystalline form and is commonly used in pharmaceutical and research applications due to its bromine substituent and trityl group.

What are the main uses of 4-Bromo-1-trityl-1H-pyrazole (CAS: 95162-14-4)?

4-Bromo-1-trityl-1H-pyrazole is primarily used in pharmaceutical and research settings. It serves as a key intermediate in the synthesis of various drugs and biological molecules. Additionally, it can be used in the development of novel materials and as a reagent in organic synthesis.

Is 4-Bromo-1-trityl-1H-pyrazole (CAS: 95162-14-4) safe?

4-Bromo-1-trityl-1H-pyrazole is generally safe when handled with appropriate precautions. However, it is important to follow safety guidelines, including wearing personal protective equipment (PPE) such as gloves and goggles. It should be stored in a cool, dry place away from direct sunlight and heat sources.

How should 4-Bromo-1-trityl-1H-pyrazole (CAS: 95162-14-4) be stored?

4-Bromo-1-trityl-1H-pyrazole should be stored in a cool, dry environment with a temperature range of 0-25°C and low humidity. It should be kept away from direct sunlight and heat sources. The compound should be stored in a tightly sealed container to prevent degradation and contamination. It is advisable to store it in a fume hood to minimize exposure to air and moisture.