1-Acetyl-4-(2',4'-difluorobenzoyl)piperidine

HCID 2740707

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基本情報

CAS: 84162-82-3
標準SMILES: CC(=O)N1CCC(C(=O)c2ccc(F)cc2F)CC1
InChIKey: UGPWQEIGJWVJDR-UHFFFAOYSA-N
分子式: C14H15F2NO2
平均分子量: 267.27 g/mol
単同位体質量: 267.10708505

名称と識別子

優先名称: 1-Acetyl-4-(2',4'-difluorobenzoyl)piperidine
IUPAC: 1-[4-(2,4-difluorobenzoyl)piperidin-1-yl]ethanone
英語名: 1-Acetyl-4-(2,4-difluorobenzoyl)piperidine
分子式: C14H15F2NO2
分子量: 267.27

名称と別名

1-ACETYL-4-(2',4'-DIFLUOROBENZOYL)PIPERIDINERefChem:428995691-183-184162-82-31-(4-(2,4-difluorobenzoyl)piperidin-1-yl)ethanone4-(2',4'-Difluorobenzoyl)-1-acetylpiperidine1-[4-(2,4-difluorobenzoyl)piperidin-1-yl]ethanone1-[4-(2,4-difluorobenzoyl)piperidin-1-yl]ethan-1-one1-Acetyl-4-(2,4-difluorobenzoyl)piperidine(1-acetylpiperidin-4-yl)(2,4-difluorophenyl)methanoneMFCD001794401-[4-(2,4-difluoro-benzoyl)-piperidin-1-yl]-ethanone

名称をさらに表示

Paliperidone Acetyl Impurity1-[4-(2,4-difluorobenzoyl)-1-piperidinyl]-1-ethanoneEthanone, 1-[4-(2,4-difluorobenzoyl)-1-piperidinyl]-1-[4-(2,4-Difluorobenzoyl)piperidin-1-yl]ethan-1-one - [D94738]1-[4-(2,4-Difluorobenzoyl)piperidin-1-yl]ethan-1-one (Risperidone Impurity)

C14H15F2NO2Risperidone Difluoro Acetyl Impurity4-(2,4-Difluorobenzoyl)-N-acetylpiperidine1-[4-(2,4-difluorobenzoyl)-1-piperidyl]ethanone1-(4-(2,4-difluorobenzoyl)piperidin-1-yl)ethan-1-oneRisperidone RC 2F9995-0071Risperidone Impurity 19

データベース識別子

CAS: 84162-82-3
PubChem CID: 2740707
DTXSID: DTXSID70372387
EC Number: 691-183-1

物性

構造計算による物性

XLogP: 1.8
極性表面積: 37.4 Å²
水素結合供与体数: 0
水素結合受容体数: 4
回転可能結合数: 2
重原子数: 19
形式電荷: 0
複雑度: 353

物理化学的性質

融点: 97 · 97-98℃
沸点: 408.1 · 408.1±45.0 °C(Predicted)
比重(密度): 1.247 · 1.247±0.06 g/cm3(Predicted)
貯蔵温度: 2 · 2-8°C
酸解離定数(Pka): -1.67 · -1.67±0.40(Predicted)
CAS データベース: 84162 · 84162-82-3

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

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, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 5 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.

安全データ

注意喚起語: 警告
危険有害性情報: コード危険有害性情報危険有害性クラス区分注意喚起語シンボル P コード H315

化学と産業

応用分野

使用1-[4-(2,4-Difluorobenzoyl)piperidin-1-yl]ethanone is a chemical reagent used in the synthesis of antiproliferative agents as well as for piperidines displaying 5-HT2 antagonist activity.