1,4-Bis[(4-chlorophenyl)phenylmethyl]piperazine

HCID 413327
NotesReactions
Substructure searchFind similar structures

Basic information

CAS
346451-15-8
Standard SMILES
Clc1ccc(C(c2ccccc2)N2CCN(C(c3ccccc3)c3ccc(Cl)cc3)CC2)cc1
InChIKey
DLEQNCKNBPYHEY-UHFFFAOYSA-N
Molecular formula
C30H28Cl2N2
Average molar mass
487.5 g/mol
Monoisotopic mass
486.1629543

Names & identifiers

Preferred name
1,4-Bis[(4-chlorophenyl)phenylmethyl]piperazine
IUPAC
1,4-bis[(4-chlorophenyl)-phenylmethyl]piperazine
English name
1,4-BIS[(4-CHLOROPHENYL)PHENYLMETHYL]PIPERAZINE DIHYDROCHLORIDE
Molecular formula
C30H28Cl2N2
Molecular weight
487.46

Names & synonyms

1,4-bis[(4-chlorophenyl)phenylmethyl]piperazine1,4-Bis((4-chlorophenyl)phenylmethyl)piperazine5K68SCT4TX1,4-bis((4-chlorophenyl)(phenyl)methyl)piperazine1,4-bis[(4-chlorophenyl)(phenyl)methyl]piperazineCETIRIZINE DIHYDROCHLORIDE IMPURITY D [EP IMPURITY]MECLOZINE DIHYDROCHLORIDE IMPURITY F [EP IMPURITY]CETIRIZINE DIHYDROCHLORIDE IMPURITY D (EP IMPURITY)MECLOZINE DIHYDROCHLORIDE IMPURITY F (EP IMPURITY)CETIRIZINE HYDROCHLORIDE IMPURITY, CETIRIZINE DIMER-(USP IMPURITY)CETIRIZINE HYDROCHLORIDE IMPURITY, CETIRIZINE DIMER-[USP IMPURITY]RefChem:416385
Show more names
Cetirizine -EP-Imp-DUSP Cetirizine DimerCetirizine Impurity97Cetirizine Impurity 12Meclozine EP Impurity FBuclizine EP Impurity A HClCetirizine Impurity 12 MonomerBuclizine HCl IMpurity-A(BP/EP)1,4-Bis[(4-chlorophenyl)phenylmethy
642-012-4852-368-4856841-95-7Cetirizine impurity D346451-15-8Cetirizine dimerUNII-5K68SCT4TXPiperazine, 1,4-bis((4-chlorophenyl)phenylmethyl)-

Database identifiers

CAS
346451-15-8、856841-95-7
PubChem CID
413327
UNII
5K68SCT4TX
EC Number
642-012-4、852-368-4

Properties

Computed structural properties

XLogP
7.7
Topological polar surface area
6.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
6
Heavy atoms
34

Physicochemical properties

Melting point
180 °C · >180°C (dec.)
Boiling point
270 · 270-275 °C(Press: 1 Torr)
Density
1.228 · 1.228±0.06 g/cm3(Predicted)
storage temp.
Hygroscopic, Refrigerator, Under inert atmosphere
solubility
Chloroform (Slightly, Heated, Sonicated), DMSO (Slightly, Heated), Methanol (Slightly)
pka
5.85 · 5.85±0.10(Predicted)

Safety & regulation

GHS classification

GHS Classification · 6 items

Warning

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

P203, P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P318, P319, P321, P330, P337+P317, P362+P364, P391, 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.

Warning

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

Hazard information

Hazard Classes and Categories · 2 items

Acute Tox. 4 (100%)

Acute Tox. 4 (100%)

Safety data

wgk
WGK 3
Signal word
Warning
Symbol(GHS)
GHS07
Storage Class
11 - Combustible Solids
Hazard statements
H302
Precautionary statements
P264-P270-P301+P312-P330-P501

Chemistry & industry

Applications

Uses1,4-Bis[(4-chlorophenyl)phenylmethyl]piperazine is an impurity of Buclizine (B689450), an antiemetic agent.

Suppliers79 total

天津始加生物医药科技有限公司15022261580 · [email protected]
上海策嵘生物科技有限公司[email protected]
济南百隆化学有限公司[email protected] · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
怀化元研达生物技术有限责任公司18711085600 · [email protected]

Related reactions

2 records
New reaction record

Compound notes

Loading…