1-(2,3-Dichlorophenyl)piperazine

HCID 851833
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Substructure searchFind similar structures

Basic information

CAS
41202-77-1
Standard SMILES
Clc1cccc(N2CCNCC2)c1Cl
InChIKey
UDQMXYJSNNCRAS-UHFFFAOYSA-N
Molecular formula
C10H12Cl2N2
Average molar mass
231.12 g/mol
Monoisotopic mass
230.03775374

Names & identifiers

Preferred name
1-(2,3-Dichlorophenyl)piperazine
IUPAC
1-(2,3-dichlorophenyl)piperazine
English name
1-(2,3-Dichlorophenyl)-piperazine
Molecular formula
C10H12Cl2N2
Molecular weight
231.12

Names & synonyms

1-(2,3-dichlorophenyl)piperazine41202-77-1Piperazine, 1-(2,3-dichlorophenyl)-2,3-DichlorophenylpiperazineUNII-891W3EV0B1891W3EV0B1DTXSID90961499EC 609-896-3ARIPIPRAZOLE IMPURITY B [EP IMPURITY]ARIPIPRAZOLE IMPURITY B (EP IMPURITY)RefChem:73965DTXCID70814378
Show more names
1-(2,3-Dichlorophenyl)-piperazine hydrochloride1-(2,3-DICHLOROPHENYL)PIPERAZINE HCL1-(2,3-Dichlorophenyl)piperazine monohydrochlorideTIMTEC-BB SBB003054Aripiprazole USP RC C base1-(2,3-Dichlorphenyl)-piperazine1-(2,3-Dichlorophenyl)piperazine 98%1-(2,3 Dichlorophenyl) Piperzine HCLN-(2,3-DICHLOROPHENYL) PIPERAZINE HCL1-(2,3-DICHLOROPHENYL)-PIPERAZINE >98%
1-(2,3-dichloro phenyl) piperazine1-(2,3-Dichlorophenyl)-Piperazine. HCl609-896-31-(2,3-Dichlorophenyl)-piperazineN-(2,3-Dichlorophenyl)piperazineMFCD010751814-(2,3-dichlorophenyl)piperazineCHEMBL1424807

Database identifiers

CAS
41202-77-1
PubChem CID
851833
DTXSID
DTXSID90961499
ChEMBL
CHEMBL1424807
UNII
891W3EV0B1
EC Number
609-896-3
Nikkaji
J1.831.558K

Properties

Computed structural properties

XLogP
2.6
Topological polar surface area
15.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
1
Heavy atoms
14

Experimental & physicochemical properties

DrugsDEA NFLIS-Drug Category -> Piperazines (Hallucinogen)

Physicochemical properties

Melting point
242 · 242-244°C
Boiling point
127 °C/0.8mm · 127°C/0.8mm
Density
1.272 · 1.272±0.06 g/cm3(Predicted)
pka
8.71 · 8.71±0.10(Predicted)
InChI
InChI=1S/C10H12Cl2N2/c11-8-2-1-3-9(10(8)12)14-6-4-13-5-7-14/h1-3,13H,4-7H2
InChIKey
UDQMXYJSNNCRAS-UHFFFAOYSA-N

Safety & regulation

GHS classification

GHS Classification · 5 items

This chemical does not meet GHS hazard criteria for 33.3% (1 of 3) of reports.

Warning

H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationStatus: Active Update: 26-02-2015 https://echa.europa.eu/registration-dossier/-/registered-dossier/8096
Hazard Classes and CategoriesSkin Irrit. 2 (66.7%)

Safety data

risk_code
36/37/38
Signal word
Warning
Symbol(GHS)
GHS07
hazard_code
Xi
hazard_note
Irritant
safety_code
26-36/37/39

Chemistry & industry

Pharmacology

Metabolism/Metabolites2,3-dichlorophenylpiperazine is a known human metabolite of aripiprazole.
Applications · 1 item

Uses1-(2,3-Dichlorphenyl)piperazine is a potent DHCR7 inhibitor with the activity of inhibiting cholesterol biosynthesis. 1-(2,3-Dichlorphenyl)piperazine is often used in biological research to evaluate the function of cholesterol biosynthesis pathway. The application of 1-(2,3-Dichlorphenyl)piperazine is of great significance for understanding diseases related to cholesterol biosynthesis[1].

Upstream & downstream products

Suppliers100 total

济南百隆化学有限公司[email protected] · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
上海泰矶林实业有限公司02150630626 17717886015 · [email protected]
Shanghai Yingrui Biopharma Co.,Ltd21-33585366 · [email protected]

Related reactions

54 records
New reaction record

Compound notes

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