3D Mol Similar

1-(3-CHLOROBENZYL)PIPERAZINE

: Iupac Name：1-[(3-chlorophenyl)methyl]piperazine; CAS No.: 23145-91-7; Molecular Weight：212.71908; Modify Date.: 2022-11-24 02:22; Introduction:
Colorless liquid
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1. Names and Identifiers

: 1.1 Name; 1-(3-CHLOROBENZYL)PIPERAZINE; 1.2 Synonyms; 1-(3-CHLOROBENZYL)PIPERAZINE 1-(3-CHLOROBENZYL)PIPERAZINE, PURISS AKOS B003999 ART-CHEM-BB B003999 BUTTPARK 36\08-64 CHEMBRDG-BB 4004078 TIMTEC-BB SBB009229

1.3 CAS No.: 23145-91-7

1.4 CID: 764727

1.5 Molecular Formula: C11H15ClN2 (isomer)

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

1.7 InChIkey: JTEQMTYOCBFLNH-UHFFFAOYSA-N

1.8 Canonical Smiles: C1CN(CCN1)CC2=CC(=CC=C2)Cl

1.9 Isomers Smiles: C1CN(CCN1)CC2=CC(=CC=C2)Cl

2. Properties

2.1 Density: 1.146

2.1 Boiling point: 303.7 °C at 760 mmHg ,120-123 °C1.5 mm Hg(lit.)

2.1 Refractive index: n20/D 1.5582

2.1 Flash Point: 137.5 °C

2.1 Precise Quality: 210.09200

2.1 PSA: 15.27000

2.1 logP: 2.01190

2.1 Appearance: Colorless to yellow Liquid

2.2 Storage: Ambient temperatures.

2.3 Chemical Properties: Colorless liquid 1-(3-CHLOROBENZYL)PIPERAZINE Preparation Products And Raw materials Raw materials

2.4 Color/Form: Colorless to yellow

2.5 pKa: 9.10±0.10(Predicted)

3. Safety and Handling

3.1 Hazard Codes: C

3.1 Risk Statements: R22

3.1 Safety Statements: 26-36/37/39-45

3.1 Hazard Class: IRRITANT

3.1 Hazard Declaration: H302-H314

3.1 RIDADR: UN1760

3.1 Caution Statement: P280-P305 + P351 + P338-P310

3.1 WGK Germany: 2

4. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

Skin corrosion, Category 1B

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word	Danger
Hazard statement(s)	H302 Harmful if swallowed H314 Causes severe skin burns and eye damage
Precautionary statement(s)
Prevention	P264 Wash ... thoroughly after handling. P270 Do not eat, drink or smoke when using this product. P260 Do not breathe dust/fume/gas/mist/vapours/spray. P280 Wear protective gloves/protective clothing/eye protection/face protection.
Response	P301+P312 IF SWALLOWED: Call a POISON CENTER/doctor/…if you feel unwell. P330 Rinse mouth. 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/… P321 Specific treatment (see ... on this label). 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

23145-91-7Total: 6 Synthesis Route

766-80-3 77 Suppliers

23145-91-7 21 Suppliers

Literatures:
US5684006 A1, ; US 5684006 A
Yield: null

620-20-2 141 Suppliers

23145-91-7 21 Suppliers

Literatures:
Bioorganic and Medicinal Chemistry, , vol. 6, # 10 p. 1731 - 1743
Yield: null

305860-09-7

23145-91-7 21 Suppliers

Literatures:
Bioorganic and Medicinal Chemistry, , vol. 6, # 10 p. 1731 - 1743
Yield: null

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6. Precursor and Product

precursor:

1158547-02-4

110-85-0

305860-09-7

620-20-2

766-80-3

7. Computational chemical data

Molecular Weight: 212.71908g/mol
Molecular Formula: C₁₁H₁₅ClN₂
Compound Is Canonicalized: True
XLogP3-AA: null
Exact Mass: 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: AAADccBzAAAEAAAAAAAAAAAAAAAAAAAAAAA8QAAAAAAAAAABAAAAHAIQAAAADALBGCQwAIPAAACAAiBCAACCAAAgBQAIiIAIBogIYCKBkxGUIAhgkACIiAcQgAAOAAAAIAAAAAAAAABAAAAAAAAAAAAAAA==

8. Recommended Suppliers

Global21SuppliersView all >>

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1-(3-CHLOROBENZYL)PIPERAZINE

Purity:99%Packing: 200kg/bag FOB
Price:
Time: 2018/11/21

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Hangzhou J&H Chemical Co., Ltd Audited Suppliers

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1-(3-Chlorobenzyl)piperazine