1-(3-Chlorobenzyl)piperazine

HCID 764727CAS 23145-91-7

Substructure search Find similar structures

Basic information

Standard SMILES: Clc1cccc(CN2CCNCC2)c1
InChIKey: JTEQMTYOCBFLNH-UHFFFAOYSA-N
Molecular formula: C11H15ClN2
Average molar mass: 210.7 g/mol
Monoisotopic mass: 210.09237616

Names & identifiers

Preferred name: 1-(3-Chlorobenzyl)piperazine
IUPAC: 1-[(3-chlorophenyl)methyl]piperazine
English name: 1-(3-CHLOROBENZYL)PIPERAZINE
Molecular formula: C11H15ClN2
Molecular weight: 210.7

Names & synonyms

1-(3-Chlorobenzyl)piperazine23145-91-7DTXSID00354151RefChem:224297DTXCID90305213626-065-01-[(3-chlorophenyl)methyl]piperazinePiperazine, 1-[(3-chlorophenyl)methyl]-MFCD02048053[(3-chlorophenyl)methyl]piperazine1-(3-Chlorobenzyl)piperazine, 98%Oprea1_122570

Show more names

AKOS B003999BUTTPARK 36\08-64TIMTEC-BB SBB009229ART-CHEM-BB B003999CHEMBRDG-BB 40040781-(m-Chlorobenzyl)piperazineN-(3-Chlorobenzyl)piperazine1-(3-Chlorobenzyl)piperazine 98%1-(3-Chlorobenzyl)piperazine ,98%

Oprea1_5862991-(3-Chlorobenzyl)-piperazineorb3026214SCHEMBL1888148SCHEMBL2091047CHEMBL4470374SCHEMBL28083194SCHEMBL28604803

Database identifiers

CAS: 23145-91-7
PubChem CID: 764727
DTXSID: DTXSID00354151
ChEMBL: CHEMBL4470374
EC Number: 626-065-0
Nikkaji: J1.349.274C

Properties

Computed structural properties

XLogP: 2
Topological polar surface area: 15.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 14
Formal charge: 0
Complexity: 169

Physicochemical properties

Boiling point: 120 · 120-123 °C/1.5 mmHg (lit.) 120-123 °C/1.5 mmHg
Density: 1.129 g/mL · 1.129 g/mL at 25 °C
refractive index: 20 · n20/D 1.5582
Flash point: 230 °F · >230 °F
form: Liquid
pka: 9.1 · 9.10±0.10(Predicted)
color: Colorless to yellow
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
InChIKey: JTEQMTYOCBFLNH-UHFFFAOYSA-N
SMILES: Clc1cccc(CN2CCNCC2)c1
CAS DataBase Reference: 23145 · 23145-91-7(CAS DataBase Reference)
UNSPSC Code: 12352100 · 12352100
Symbol(GHS): 5 · GHS05,GHS07
Signal word: Danger
Hazard statements: 318 · H318-H302-H314
Precautionary statements: 280 · P280-P305+P351+P338-P310-P260h-P301+P330+P331-P303+P361+P353-P405-P501a
PPE: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
Hazard Codes: C,Xi
Risk Statements: 22 · 22-34
Safety Statements: 26 · 26-36/37/39-45
RIDADR: 2735 · UN 2735 8/PG 3
WGK Germany: 2 · 2
Hazard Note: Irritant
HazardClass: 8 · 8
HS Code: 29335990 · 29335990
Storage Class: 8 A · 8A - Combustible corrosive hazardous materials
Hazard Classifications: 4 OralAquatic · Acute Tox. 4 OralAquatic Chronic 3Eye Irrit. 2Skin Corr. 1B

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

PPE: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
wgk: 2
ridadr: UN 2735 8/PG 3
hs_code: 29335990
risk_code: 22-34
Signal word: Danger
Symbol(GHS): GHS05,GHS07
hazard_code: C,Xi
hazard_note: Irritant
safety_code: 26-36/37/39-45
hazard_class: 8
Storage Class: 8A - Combustible corrosive hazardous materials
Hazard statements: H318-H302-H314
Hazard Classifications: Acute Tox. 4 OralAquatic Chronic 3Eye Irrit. 2Skin Corr. 1B
Precautionary statements: P280-P305+P351+P338-P310-P260h-P301+P330+P331-P303+P361+P353-P405-P501a