CAS 106266-04-0 (2,4-Difluorophenyl)(piperidin-4-yl)methanone hydrochloride (HCID 18759874)

基本情報

CAS: 106266-04-0
標準SMILES: Cl.O=C(c1ccc(F)cc1F)C1CCNCC1
InChIKey: QPJONRGTWKXJLG-UHFFFAOYSA-N
分子式: C12H14ClF2NO
平均分子量: 261.69 g/mol
単同位体質量: 261.0731981

名称と識別子

優先名称: (2,4-Difluorophenyl)(piperidin-4-yl)methanone hydrochloride
IUPAC: (2,4-difluorophenyl)-piperidin-4-ylmethanone;hydrochloride
現地名: 4-(2,4-ジフルオロベンゾイル)ピペリジン塩酸塩
英語名: 4-(2,4-Difluorobenzoyl)-piperidine hydrochloride
分子式: C12H14ClF2NO
分子量: 261.7

名称と別名

(2,4-difluorophenyl)(piperidin-4-yl)methanone hydrochlorideMethanone, (2,4-difluorophenyl)-4-piperidinyl-, hydrochloride (1:1)RefChem:394591600-732-6106266-04-04-(2,4-Difluorobenzoyl)piperidine hydrochloride4-(2,4-difluorobenzoyl)piperidine hcl4-(2,4-difluorobenzoyl)-piperidine hydrochlorideMFCD01313310(2,4-difluoro-phenyl)-piperidin-4-yl-methanone hydrochloride(2,4-difluorophenyl)-piperidin-4-ylmethanone;hydrochloride4-(2,4-Difluorobenzoyl)piperidine hydrochloride; (2,4-Difluorophenyl)-4-piperidinylmethanone hydrochloride

名称をさらに表示

4-(2,4-ジフルオロベンゾイル)ピペリジン塩酸塩(2,4-ジフルオロフェニル)-4-ピペリジニルメタノン・塩酸塩Paliperidone Impurity 31Risperidone Impurity 4 HClINTERMEDIATES FOR RISPERIDONE4-(2,4-difluorobenzoyl)-piperidineRisperidone Diflurobenzoyl Impurity4-(2,4-DIFLUOROBENZOYL)-PYRIDINE HCLRisperidone Difluorobenzoyl IMpurityRisperidone Impurity Difluorobenzoyl

Methanone, (2,4-difluorophenyl)-4-piperidinyl-, hydrochloride4-(2,4-Difluorobenzoyl)piperidinehydrochloride63VD8AE76QSCHEMBL1836446DTXSID80596017QPJONRGTWKXJLG-UHFFFAOYSA-NSBB063294AKOS015888702

データベース識別子

CAS: 106266-04-0
PubChem CID: 18759874
DTXSID: DTXSID80596017
UNII: 63VD8AE76Q
EC Number: 600-732-6

物性

構造計算による物性

極性表面積: 29.1 Å²
水素結合供与体数: 2
水素結合受容体数: 4
回転可能結合数: 2
重原子数: 17
形式電荷: 0
複雑度: 253

物理化学的性質

融点: 203 · 203-206°C (dec.)
貯蔵温度: Inert atmosphere,Room Temperature
溶解性: メタノール、水
外見: 個体
色: オフホワイトからペールベージュ
InChI: InChI=1S/C12H13F2NO.ClH/c13-9-1-2-10(11(14)7-9)12(16)8-3-5-15-6-4-8;/h1-2,7-8,15H,3-6H2;1H
InChIKey: QPJONRGTWKXJLG-UHFFFAOYSA-N
SMILES: C1(C=CC(F)=CC=1F)C(=O)C1CCNCC1.Cl
CAS データベース: 106266 · 106266-04-0(CAS DataBase Reference)

化学的性質

化学的特性Off-White to Pale Beige Solid

安全と法規制

GHS分類

GHS Classification · 5 件

This chemical does not meet GHS hazard criteria for 16.7% (1 of 6) of reports.

Warning

H315 (83.3%): Causes skin irritation [Warning Skin corrosion/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 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.