CAS 23145-88-2 4-Chlorobenzylpiperazine (HCID 134826)

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Basic information

CAS: 23145-88-2
Standard SMILES: Clc1ccc(CN2CCNCC2)cc1
InChIKey: GSJXJZOWHSTWOX-UHFFFAOYSA-N
Molecular formula: C11H15ClN2
Average molar mass: 210.7 g/mol
Monoisotopic mass: 210.0923762

Names & identifiers

Preferred name: 4-Chlorobenzylpiperazine
IUPAC: 1-[(4-chlorophenyl)methyl]piperazine
English name: 1-(4-CHLOROBENZYL)PIPERAZINE
Molecular formula: C11H15ClN2
Molecular weight: 210.7

Names & synonyms

23145-88-24-ChlorobenzylpiperazineDTXSID20177723RefChem:98563DTXCID801002141-(4-Chlorobenzyl)piperazine1-[(4-chlorophenyl)methyl]piperazinePiperazine, 1-[(4-chlorophenyl)methyl]-1-(4-Chlorobenzyl)-piperazineMFCD000407911-(4-Chloro-benzyl)-piperazineN-(4-chlorobenzyl)piperazine

Show more names

AKOS B003998AKOS BBS-00003647BUTTPARK 36\08-59RARECHEM AH CK 0065TIMTEC-BB SBB003437ART-CHEM-BB B003998Chlorobenzylpiperazin

[(4-chlorophenyl)methyl]piperazineChlorbenzylpiperazineNorhomochlorcyclizinePiperazine, 1-((4-chlorophenyl)methyl)-ChemDiv3_0018241-p-chlorobenzyl-piperazineNCIOpen2_005665Oprea1_021072

Database identifiers

CAS: 23145-88-2
PubChem CID: 134826
DTXSID: DTXSID20177723
ChEMBL: CHEMBL67216
EC Number: 625-486-7
Nikkaji: J1.861.086H

Properties

Computed structural properties

XLogP: 1.7
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: 161

Physicochemical properties

Melting point: 109 · 109-111.5 °C
Boiling point: 104 · 104-106 °C/0.1 mmHg (lit.)
Density: 1.14 g/mL · 1.140 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.5580(lit.)
Flash point: 230 °F · >230 °F
storage temp.: 2 · 2-8°C, protect from light
pka: 9.11 · 9.11±0.10(Predicted)
form: Liquid
color: Clear yellow
InChI: 1S/C11H15ClN2/c12-11-3-1-10(2-4-11)9-14-7-5-13-6-8-14/h1-4,13H,5-9H2
InChIKey: GSJXJZOWHSTWOX-UHFFFAOYSA-N
SMILES: Clc1ccc(CN2CCNCC2)cc1
CAS DataBase Reference: 23145 · 23145-88-2(CAS DataBase Reference)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 5 · GHS05,GHS07

Safety & regulation

Safety data

PPE: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
wgk: 3
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: Corrosive
safety_code: 26-36/37/39-45
hazard_class: 8
Storage Class: 8A - Combustible corrosive hazardous materials
packing_group: III
Hazard statements: H302-H314
Limited Quantities: 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Hazard Classifications: Acute Tox. 4 OralEye Dam. 1Skin Corr. 1B
Precautionary statements: P270-P280-P301+P312-P303+P361+P353-P304+P340+P310-P305+P351+P338