(4-クロロフェニル)(ピペラジン-1-イル)メタノン

1-(4-Chlorobenzoyl)piperazine

HCID 4101484CAS 54042-47-6

部分構造検索類似構造を探す

基本情報

標準SMILES: O=C(c1ccc(Cl)cc1)N1CCNCC1
InChIKey: IHSZLKAMJQHQOS-UHFFFAOYSA-N
分子式: C11H13ClN2O
平均分子量: 224.68 g/mol
単同位体質量: 224.0716407

名称と識別子

優先名称: 1-(4-Chlorobenzoyl)piperazine
IUPAC: (4-chlorophenyl)-piperazin-1-ylmethanone
現地名: (4-クロロフェニル)(ピペラジン-1-イル)メタノン
英語名: (4-Chlorophenyl)(piperazin-1-yl) methanone
分子式: C11H13ClN2O
分子量: 224.69

名称と別名

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

名称をさらに表示

(4-クロロフェニル)(ピペラジン-1-イル)メタノン1-(4-クロロベンゾイル)ピペラジン4-クロロフェニルピペラジノケトンMethanone, (4-chlorophenyl)-1-piperazinyl-

SCHEMBL2092237SCHEMBL16598993DTXSID70399332IHSZLKAMJQHQOS-UHFFFAOYSA-NGS3250STL183438AKOS000130679BAS 06481308

データベース識別子

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

物性

構造計算による物性

XLogP: 1.4
極性表面積: 32.3 Å²
水素結合供与体数: 1
水素結合受容体数: 2
回転可能結合数: 1
重原子数: 15
形式電荷: 0
複雑度: 221

物理化学的性質

融点: 200 °C · 200 °C
沸点: 384 · 384.0±37.0 °C(Predicted)
比重(密度): 1.231 · 1.231±0.06 g/cm3(Predicted)
貯蔵温度: Keep in dark place,Inert atmosphere,Room temperature
酸解離定数(Pka): 8.32 · 8.32±0.10(Predicted)

安全と法規制

GHS分類

GHS Classification · 5 件

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.