Encyclopedia / Pharmaceutical Intermediates / Organic Intermediate

1-(2-CHLOROBENZYL)PIPERAZINE

CAS：17532-19-3
MW:210.7
MF：C11H15ClN2

1-(2-CHLOROBENZYL)PIPERAZINE, with the chemical formula C11H14ClN and CAS registry number 17532-19-3, is a compound known for its applications in medicinal chemistry. This organic compound is characterized by its chlorobenzyl and piperazine functional groups. It is commonly used as a building block in the synthesis of various pharmaceuticals and biologically active molecules. 1-(2-CHLOROBENZYL)PIPERAZINE has been found to exhibit antipsychotic and antidepressant properties, making it a valuable tool in the development of new drugs for mental health disorders. Additionally, it has shown potential as an anticancer agent, with studies indicating its ability to inhibit the growth of certain cancer cells. Overall, 1-(2-CHLOROBENZYL)PIPERAZINE plays a crucial role in the field of medicinal chemistry, offering a versatile platform for the creation of novel therapeutic compounds.

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Names and ldentifier
Properties
Use and Manufacturing
Msds
Other Information
Computational chemical data
Realated Product Infomation

1. Names and Identifiers

1.1 Name: 1-(2-CHLOROBENZYL)PIPERAZINE

1.2 Synonyms: 1-(2-CHLOROBENZYL)PIPERAZINE; AKOS B004000; AKOS BBS-00005960; ART-CHEM-BB B004000; BUTTPARK 36\08-55; Piperazine, 1-(2-chlorobenzyl)-; TIMTEC-BB SBB003439;

1.3 CAS No.: 17532-19-3

1.4 CID: 580769

1.5 EINECS: 241-651-2

1.6 Molecular Formula: C11H15ClN2

1.7 Inchi: InChI=1S/C11H15ClN2/c12-11-4-2-1-3-10(11)9-14-7-5-13-6-8-14/h1-4,13H,5-9H2

1.8 InChkey: JOWPEBYCPPLVNX-UHFFFAOYSA-N

1.9 Canonical Smiles: C1CN(CCN1)CC2=CC=CC=C2Cl

1.10 Isomers Smiles: C1CN(CCN1)CC2=CC=CC=C2Cl

2. Properties

2.1 Chemical Properties: Colorless liquid 1-(2-CHLOROBENZYL)PIPERAZINE Preparation Products And Raw materials Raw materials

2.2 pKa: 9.08±0.10(Predicted)

3. Use and Manufacturing

3.1 Description

1-(2-CHLOROBENZYL)PIPERAZINE, with the chemical formula C11H14ClN, has the CAS number 17532-19-3. It appears as a white to off-white crystalline powder with a faint odor. The basic structure of 1-(2-CHLOROBENZYL)PIPERAZINE consists of a piperazine ring with a chlorobenzyl group attached to it. This compound is soluble in organic solvents but insoluble in water. Safety information regarding 1-(2-CHLOROBENZYL)PIPERAZINE is not available.

Applicable Fields

1-(2-CHLOROBENZYL)PIPERAZINE is used in the field of pharmaceuticals. Its purpose in this field involves its potential as an intermediate in the synthesis of various pharmaceutical compounds. The mechanism of action of 1-(2-CHLOROBENZYL)PIPERAZINE in pharmaceutical applications is not specified.

Storage

ConditionsStore in a cool and dry place.

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4. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

Acute toxicity - Dermal, Category 4

Skin corrosion, Category 1B

Acute toxicity - Inhalation, Category 4

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word	Danger
Hazard statement(s)	H302 Harmful if swallowed H312 Harmful in contact with skin H314 Causes severe skin burns and eye damage H332 Harmful if inhaled
Precautionary statement(s)
Prevention	P264 Wash ... thoroughly after handling. P270 Do not eat, drink or smoke when using this product. P280 Wear protective gloves/protective clothing/eye protection/face protection. P260 Do not breathe dust/fume/gas/mist/vapours/spray. P261 Avoid breathing dust/fume/gas/mist/vapours/spray. P271 Use only outdoors or in a well-ventilated area.
Response	P301+P312 IF SWALLOWED: Call a POISON CENTER/doctor/\u2026if you feel unwell. P330 Rinse mouth. P302+P352 IF ON SKIN: Wash with plenty of water/... P312 Call a POISON CENTER/doctor/\u2026if you feel unwell. P321 Specific treatment (see ... on this label). P362+P364 Take off contaminated clothing and wash it before reuse. P301+P330+P331 IF SWALLOWED: Rinse mouth. Do NOT induce vomiting. P303+P361+P353 IF ON SKIN (or hair): Take off immediately all contaminated clothing. Rinse skin with water [or shower]. P363 Wash contaminated clothing before reuse. P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing. P310 Immediately call a POISON CENTER/doctor/\u2026 P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
Storage	P405 Store locked up.
Disposal	P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

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5. Synthesis Route

17532-19-3Total: 5 Synthesis Route

89-98-5 366 Suppliers

17532-19-3 25 Suppliers

611-19-8 191 Suppliers

17532-19-3 25 Suppliers

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6. Precursor and Product

precursor:

89-98-5

611-19-8

415928-59-5

611-17-6

110-85-0

7. Computed Properties

Molecular Weight：210.7g/mol
Molecular Formula：C₁₁H₁₅ClN₂
Compound Is Canonicalized：True
Exact Mass：1.7
XLogP3-AA：210.0923762
Monoisotopic Mass：210.0923762
Complexity：169
Rotatable Bond Count：2
Hydrogen Bond Donor Count：1
Hydrogen Bond Acceptor Count：2
Topological Polar Surface Area：15.3
Heavy Atom Count：：14
Defined Atom Stereocenter Count：0
Undefined Atom Stereocenter Count：0
Defined Bond Stereocenter Count：0
Undefined Bond Stereocenter Count：0
Isotope Atom Count：0
Covalently-Bonded Unit Count：1
CACTVS Substructure Key Fingerprint：AAADccBzAAAEAAAAAAAAAAAAAAAAAAAAAAA8QAAAAAAAAAABAAAAHAIQAAAADALBGCQwAIPAAACAAiBCAACCAAAgBQAIiIAIBogIYCKBkxGUIAhgkACIiAcQgAAOAAAAAAABAAAAAAAAAAIAAAAAAAAAAA==