4-(4-Ethyl-1-piperazinyl)benzoic acid

Basic Information

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CAS Number

784130-66-1

Molecular Formula

C13H18N2O2

Molecular Weight

234.3 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Boiling Point

405°C at 760 mmHg

Density

1.154

Flash Point

198.7℃

Refractive Index

1.567

SMILES

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CCN1CCN(CC1)C2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C13H18N2O2/c1-2-14-7-9-15(10-8-14)12-5-3-11(4-6-12)13(16)17/h3-6H,2,7-10H2,1H3,(H,16,17)

InChIKey

UJKUGZAMAKCYKG-UHFFFAOYSA-N

LogP

1.5266999999999997

Topological Polar Surface Area

43.78 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

254

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

784130-66-1
4-(4-ethylpiperazino)benzoicacid
MFCD05864834
DTXSID90592409
CS-W003259
EN300-72598
SY007656
DS-0151
4-(4-Ethylpiperazin-1-yl)benzoicacid
AKOS000260065
4-(4-ethylpiperazino)benzoic acid
FS-3029
SCHEMBL1305549
4-(4-Ethylpiperazin-1-yl);benzoic acid
4-(4-ethylpiperazin-1-yl)benzoic acid, AldrichCPR
A9865
CL1612
FT-0660049
AC-23308
4-(4-ETHYLPIPERAZIN-1-YL)BENZOIC ACID
AMY9291
4-(4-Ethylpiperazin-1-yl)benzoic acid
Benzoic acid,4-(4-ethyl-1-piperazinyl)-
PubChem18794
PubChem16663
4-(4-ethylpiperazinyl)benzoic acid
SBB066893
TRA0079480
ST2410974
AB0026717

MDL Number

MFCD05864834

Customs Code

2933599090

FAQ

What are the physical and chemical properties of 4-(4-Ethyl-1-piperazinyl)benzoic acid (CAS: 784130-66-1)?

4-(4-Ethyl-1-piperazinyl)benzoic acid is a white crystalline solid with a molecular weight of approximately 222.27 g/mol. It has a pKa of about 3.4 and is slightly soluble in water. This compound shows moderate reactivity, particularly in acidic conditions, and is stable under normal storage conditions.

How is 4-(4-Ethyl-1-piperazinyl)benzoic acid (CAS: 784130-66-1) typically synthesized?

4-(4-Ethyl-1-piperazinyl)benzoic acid is typically synthesized by the coupling of 4-aminobenzoic acid with 4-ethylpiperazine followed by acylation. This process involves the use of a Lewis acid catalyst, such as aluminum chloride, and yields a product with high structural integrity and purity.

What industries use 4-(4-Ethyl-1-piperazinyl)benzoic acid (CAS: 784130-66-1)?

4-(4-Ethyl-1-piperazinyl)benzoic acid is primarily used in the pharmaceutical industry as a precursor to drug synthesis. It is also utilized in the polymer industry for the development of novel materials and in the sensor industry for the fabrication of chemical sensors.

What precautions should be taken when handling 4-(4-Ethyl-1-piperazinyl)benzoic acid (CAS: 784130-66-1)?

When handling 4-(4-Ethyl-1-piperazinyl)benzoic acid, it is important to wear appropriate personal protective equipment (PPE), including gloves and safety goggles. This compound should be used in a well-ventilated area or a fume hood. In case of a spill, it is crucial to clean it up using appropriate absorbents and to follow the Material Safety Data Sheet (MSDS) guidelines for disposal.