CAS 41202-32-8 1-(2-Chlorophenyl)piperazinium chloride (HCID 3017015)

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Basic information

CAS: 41202-32-8
Standard SMILES: Cl.Clc1ccccc1N1CCNCC1
InChIKey: GUTWDZXWTKMXPI-UHFFFAOYSA-N
Molecular formula: C10H14Cl2N2
Average molar mass: 233.13 g/mol
Monoisotopic mass: 232.0534038

Names & identifiers

Preferred name: 1-(2-Chlorophenyl)piperazinium chloride
IUPAC: 1-(2-chlorophenyl)piperazine;hydrochloride
English name: 1-(2-Chlorophenyl)piperazine hydrochloride
Molecular formula: C10H14Cl2N2
Molecular weight: 233.14

Names & synonyms

1-(2-Chlorophenyl)piperazinium chlorideEINECS 255-262-0Piperazine, 1-(2-chlorophenyl)-, hydrochloride (1:1)RefChem:421912255-262-01-(2-Chlorophenyl)piperazine hydrochloride41202-32-81-(2-Chlorophenyl)piperazine monohydrochlorideMFCD0001276155974-33-91-(2-Chlorophenyl)piperazine HCl1-(2-chlorophenyl)piperazine;hydrochloride

Show more names

TIMTEC-BB SBB003263LABOTEST-BB LT00454957LABOTEST-BB LT00159499Trazodone Impurity 9 HClTrazodone Impurity 7 HClTrazodone Impurity 33 HCl2-CHLOROPHENYL PIPERAZINE HCL2-CHLOROPHENYLPIPERAZINE HYDROCHLORIDE

1-(2-Chlorophenyl)-piperazine hydrochloridePiperazine, 1-(2-chlorophenyl)-, monohydrochloride1-(o-Chlorophenyl)-piperazine hydrochloride hydrate(2-chlorophenyl)piperazine, chloride1-(o-Chlorophenyl)piperazine hydrochlorideortho-Chlorophenylpiperazine Hydrochloride; oCPP HClEINECS 259-929-71-(o-Chlorophenyl)piperazine HCl

Database identifiers

Properties

Computed structural properties

Topological polar surface area: 15.3 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 14
Formal charge: 0
Complexity: 157

Physicochemical properties

Melting point: 160 · 160-163 °C (dec.)(lit.)
storage temp.: Store at room temperature
solubility: DMSO (Slightly), Methanol (Slightly)
form: Solid
color: White
Sensitive: Hygroscopic
BRN: 5652889 · 5652889
InChI: 1S/C10H13ClN2.ClH/c11-9-3-1-2-4-10(9)13-7-5-12-6-8-13;/h1-4,12H,5-8H2;1H
InChIKey: GUTWDZXWTKMXPI-UHFFFAOYSA-N
SMILES: Cl[H].Clc1ccccc1N2CCNCC2
CAS DataBase Reference: 41202 · 41202-32-8(CAS DataBase Reference)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302
Precautionary statements: 264 · P264-P270-P301+P312-P330-P501

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (50%)；Eye Irrit. 2 (50%)；Acute Tox. 4 (50%)；STOT SE 3 (50%)

Safety data

wgk: 3
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
safety_code: 26-36/37/39
Storage Class: 11 - Combustible Solids
Hazard statements: H302
Precautionary statements: P264-P270-P301+P312-P330-P501

Chemistry & industry

Applications

Uses1-(2-Chlorophenyl)piperazine Hydrochloride is a reactant used in the preparation of piperazinyl, phenylpiperidinyl, tetrahydropyridinyl, and tetrahydropyridoindolylbutylbenzindoles with 5-hydroxytryptamine receptor antagonist activity.