1-(4-Chlorobenzoyl)piperazine

HCID 4101484

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Basic information

CAS: 54042-47-6
Standard SMILES: O=C(c1ccc(Cl)cc1)N1CCNCC1
InChIKey: IHSZLKAMJQHQOS-UHFFFAOYSA-N
Molecular formula: C11H13ClN2O
Average molar mass: 224.68 g/mol
Monoisotopic mass: 224.0716407

Names & identifiers

Preferred name: 1-(4-Chlorobenzoyl)piperazine
IUPAC: (4-chlorophenyl)-piperazin-1-ylmethanone
English name: (4-Chlorophenyl)(piperazin-1-yl) methanone
Molecular formula: C11H13ClN2O
Molecular weight: 224.69

Names & synonyms

1-(4-chlorobenzoyl)piperazineRefChem:425180827-755-654042-47-6(4-CHLOROPHENYL)(PIPERAZIN-1-YL)METHANONE(4-chlorophenyl)-piperazin-1-ylmethanone(4-CHLOROPHENYL)(PIPERAZIN-1-YL) METHANONEMFCD01050442(4-chlorophenyl)-piperazin-1-yl-methanoneOprea1_7433961-(p-chlorobenzoyl) piperazineSCHEMBL1256167

Show more names

Methanone, (4-chlorophenyl)-1-piperazinyl-

SCHEMBL2092237SCHEMBL16598993DTXSID70399332IHSZLKAMJQHQOS-UHFFFAOYSA-NGS3250STL183438AKOS000130679BAS 06481308

Database identifiers

CAS: 54042-47-6
PubChem CID: 4101484
DTXSID: DTXSID70399332
EC Number: 827-755-6
Nikkaji: J1.298.399I

Properties

Computed structural properties

XLogP: 1.4
Topological polar surface area: 32.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 15
Formal charge: 0
Complexity: 221

Physicochemical properties

Melting point: 200 °C · 200 °C
Boiling point: 384 · 384.0±37.0 °C(Predicted)
Density: 1.231 · 1.231±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
pka: 8.32 · 8.32±0.10(Predicted)
Appearance: White to off-white Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H335-H319-H302
Precautionary statements: 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
Hazard Codes: Xn
Risk Statements: 22 · 22-36

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): 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, 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 1 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 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

Safety data

risk_code: 22-36
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xn
Hazard statements: H315-H335-H319-H302
Precautionary statements: P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501