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303-26-4

303-26-4 Structure

303-26-4 Structure
IdentificationMore
[Name]

1-(4-Chlorobenzhydryl)piperazine
[CAS]

303-26-4
[Synonyms]

1-(4-CHLOROBENZHYDRYL)PIPERAZINE
1-(4-CHLORODIPHENYLMETHYL)-PIPERAZINE
1-(4-CHLOROPHENYLMETHYL)PIPERAZINE
1-[(4-CHLORO-PHENYL)-PHENYL-METHYL]-PIPERAZINE
AKOS BBS-00003606
N-(4-CHLOROBENZHYDRYL)-PIPERAZINE
N-(4-CHLOROBENZYLHYDRYL)PIPERAZINE
N-(P-CHLOROBENZHYDRYL)-PIPERAZINE
TIMTEC-BB SBB002998
1-((4-chlorophenyl)phenylmethyl)-piperazin
1-(4-Chloro-alpha-phenylbenzyl)piperazine
1-(alpha-Phenyl-4-chlorobenzyl)piperazine
1-(p-chloro-alpha-phenylbenzyl)-piperazin
4-(4-Chlorobenzhydryl)piperazine
Norchlorcyclizine
Piperazine, 1-(alpha-(4-chlorophenyl)benzyl)-
Piperazine, 1-(p-chloro-alpha-phenylbenzyl)-
N-(4-Chlorophenyl)phenylmethylpiperazine
1-(4-CHLOROBENZHYDRYL)PIPERAZINE, TECH.,
4-(Chlorobenzhydryl)Piperazine(Purified)Hydroxyzine/CetirizineEp
[EINECS(EC#)]

206-137-4
[Molecular Formula]

C17H19ClN2
[MDL Number]

MFCD00005965
[Molecular Weight]

286.8
[MOL File]

303-26-4.mol
Chemical PropertiesBack Directory
[Appearance]

White Solid
[Melting point ]

65-70 °C (lit.)
[Boiling point ]

178-180 °C/0.5 mmHg (lit.)
[density ]

1.0912 (rough estimate)
[vapor pressure ]

0Pa at 25℃
[refractive index ]

1.5749 (estimate)
[Fp ]

>230 °F
[storage temp. ]

2-8°C
[solubility ]

soluble in Methanol
[form ]

Crystalline Powder
[pka]

8.99±0.10(Predicted)
[color ]

White to light beige
[Water Solubility ]

144.6mg/L at 25℃
[Usage]

A metabolite of Cetirizine and Hydroxyzine
[InChI]

1S/C17H19ClN2/c18-16-8-6-15(7-9-16)17(14-4-2-1-3-5-14)20-12-10-19-11-13-20/h1-9,17,19H,10-13H2
[InChIKey]

UZKBSZSTDQSMDR-UHFFFAOYSA-N
[SMILES]

Clc1ccc(cc1)C(N2CCNCC2)c3ccccc3
[LogP]

3.4 at 25℃
[CAS DataBase Reference]

303-26-4(CAS DataBase Reference)
[NIST Chemistry Reference]

Piperazine, 1-[(4-chlorophenyl)phenylmethyl]-(303-26-4)
Safety DataBack Directory
[Symbol(GHS) ]

Corrosion (GHS05)Exclamation Mark (GHS07)Health Hazard (GHS08)
GHS05,GHS07,GHS08
[Signal word ]

Danger
[Hazard statements ]

H315-H317-H318-H361fd
[Precautionary statements ]

P201-P202-P280-P302+P352-P305+P351+P338-P308+P313
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S37/39:Wear suitable gloves and eye/face protection .
S24/25:Avoid contact with skin and eyes .
[WGK Germany ]

3
[RTECS ]

TL1772000
[Hazard Note ]

Irritant
[REACH Registrations]

Active
[HS Code ]

29339900
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Dam. 1
Repr. 2
Skin Irrit. 2
Skin Sens. 1
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Ethyl acetate-->Methanol-->Dichloromethane-->Thionyl chloride-->Petroleum ether-->Toluene-->Potassium carbonate-->Magnesium sulfate-->Ammonium hydroxide-->Piperazine-->Calcium chloride-->Potassium iodide-->2-Butanone-->4-Chlorobenzhydrol-->1-Piperazinecarboxylic acid, 4-[(4-chlorophenyl)phenylmethyl]-, 4-nitrophenyl ester-->1155402-49-5-->4-Hydroxybenzoic acid-->4-Chlorobenzophenone
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

1-(4-Chlorobenzhydryl)piperazine(303-26-4).msds
Hazard InformationBack Directory
[Chemical Properties]

White Solid
[Uses]

A metabolite of Cetirizine (C281100) and Hydroxyzine. Citirizine impurity A.
[Uses]

Cetrizine Dihydrochloride intermediate
[Preparation]

Preparation of 1-[(4-chlorophenyl)phenylmethyl]piperazine. (CPMP)
About 0.5 mL of DMF, 0.1 g of KI and 10 g (0.12 mol) of piperazine were mixed with 15 mL of toluene and heated to 80oC for 0.5 h. This mixture at 80oC was mixed with 4-CBC in toluene and the temperature was maintained at 80oC for a period of 2 h followed by refluxing at the same temperature for 12h. The reaction mixture was then cooled to 20oC. The toluene layer was washed twice with 20 mL of water and treated with HCl (15 mL conc. HCl in 5mL of water) at 5-10oC. The reaction mixture was filtered and the aqueous layer was separated from the filtrate. About 10 mL of toluene and 10 mL of methylene dichloride (MDC) washes were given to the aqueous layer and neutralized with 22 mL of 30 % NaOH solution at 10oC and maintained at 20oC for 2h. The solid compound formed was filtered, sucked and dried at 50oC for 3 h.Yield: 92 %; m.p: 63-65oC.
[Flammability and Explosibility]

Notclassified
[Safety Profile]

An experimental teratogen.Experimental reproductive effects. When heated todecomposition it emits very toxic fumes of NOx and Clí.
Spectrum DetailBack Directory
[Spectrum Detail]

1-(4-Chlorobenzhydryl)piperazine(303-26-4)1HNMR
1-(4-Chlorobenzhydryl)piperazine(303-26-4)Raman
1-(4-Chlorobenzhydryl)piperazine(303-26-4)IR
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

1-(4-Chlorobenzhydryl)piperazine, 90-95%(303-26-4)
[Sigma Aldrich]

303-26-4(sigmaaldrich)
[TCI AMERICA]

1-(4-Chlorobenzhydryl)piperazine,>96.0%(T)(303-26-4)
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