(2-{4-[(4-Chlorophenyl)(phenyl)methyl]-1-piperazinyl}ethoxy)acetic acid dihydrochloride

Basic Information

View in Editor

CAS Number

83881-52-1

Molecular Formula

C21H27Cl3N2O3

Molecular Weight

461.82 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

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

Agricultural Chemicals Pesticides Herbicides

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Melting Point

225°C

Boiling Point

542.1ºC at 760 mmHg

Density

1.2370

Water Solubility

Soluble in water, DMSO, ethanol, and methanol.

Flash Point

281.6ºC

Solubility

H2O: soluble5mg/mL, clear

Vapor Pressure

No data available

SMILES

View in Editor

Cl.Cl.OC(=O)COCCN1CCN(CC1)C(c2ccccc2)c3ccc(Cl)cc3

InChI

InChI=1S/C21H25ClN2O3.2ClH/c22-19-8-6-18(7-9-19)21(17-4-2-1-3-5-17)24-12-10-23(11-13-24)14-15-27-16-20(25)26;;/h1-9,21H,10-16H2,(H,25,26);2*1H

InChIKey

PGLIUCLTXOYQMV-UHFFFAOYSA-N

LogP

3.991800000000003

Topological Polar Surface Area

53.010000000000005 Å²

Hydrogen Bond Donor/Acceptor

1 / 5

Complexity

443

Safety Information

View Safety Information

GHS Hazard Pictograms

H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Hazard Class

Class 6.1(b) Class 6.1(b)

Synonyms & References

English

2-(2-(4-((4-Chlorophenyl)(phenyl)methyl)piperazin-1-yl)ethoxy)acetic acid dihydrochloride
Cetrizine Di-HCl
Cetirizine Hydrochloride
2-(2-{4-[(4-Chlorophenyl)(phenyl)-methyl]piperazino}ethoxy)acetic acid dihydrochloride
Cetirizine dihydrochloride
2-[2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]acetic acid,dihydrochloride
Cetirizine DiHCl
Cetirizine Dihydrochloride(UCB P071, Virlix®, Reactine®, Zyrtec®)
Cetrizide
P 071
P-071
Virlix
Zyrtec®
Levocetirizine dihydrochloride
Zyrtec
Reactine
Alerlisin
Stopaler
Ressital
Cetriler
Alergex
Alercet
Zyrzine
Formistin
Cetzine
Alertisin
Setiral
Salvalerg
Cetrine
Zirtin
Alerid

MDL Number

MFCD00941428

Customs Code

2933599090

FAQ

What is (2-{4-[(4-Chlorophenyl)(phenyl)methyl]-1-piperazinyl}ethoxy)acetic acid dihydrochloride (CAS: 83881-52-1)?

This compound, with the CAS number 83881-52-1, is a pharmaceutical intermediate known for its complex structure containing a piperazine ring and chlorophenyl-phenylmethyl groups. It is typically a white to off-white solid with moderate solubility in polar solvents. The compound exhibits specific chemical properties that make it suitable for use in drug synthesis and development.

What are the main uses of (2-{4-[(4-Chlorophenyl)(phenyl)methyl]-1-piperazinyl}ethoxy)acetic acid dihydrochloride (CAS: 83881-52-1)?

The main use of this compound is in the pharmaceutical industry as an intermediate in the synthesis of various drugs, particularly those with antipsychotic or antihistaminic properties. It is also used in research settings for developing new chemical compounds and in the production of specialty chemicals for industrial applications.

Is (2-{4-[(4-Chlorophenyl)(phenyl)methyl]-1-piperazinyl}ethoxy)acetic acid dihydrochloride (CAS: 83881-52-1) safe?

Safety of this compound depends on its handling and exposure conditions. It is generally considered safe when used in controlled environments with proper protective measures such as gloves and goggles. However, it is important to follow safety standards and consult safety data sheets (SDS) for appropriate handling and disposal procedures to minimize health and environmental risks.

How should (2-{4-[(4-Chlorophenyl)(phenyl)methyl]-1-piperazinyl}ethoxy)acetic acid dihydrochloride (CAS: 83881-52-1) be stored?

This compound should be stored in a cool, dry, and dark place, preferably at 2-8°C. It requires protection from moisture and light, and should be kept in a sealed, airtight container. Storage in a well-ventilated area is recommended to ensure stability and prevent degradation.