4-Phenylpiperidine (HCID 69873)

名称と識別子

優先名称: 4-Phenylpiperidine
IUPAC: 4-phenylpiperidine
現地名: 4-フェニルピペリジン
英語名: 4-Phenylpiperidine
分子式: C11H15N
分子量: 161.24

名称と別名

4-Phenylpiperidine771-99-38V8IM567WTDTXSID40227890NSC-89743RefChem:100377DTXCID90150381212-243-14-Phenyl-piperidinePiperidine, 4-phenyl-MFCD000060024-Phenyl piperidine

名称をさらに表示

4-フェニルピペリジン4‐フェニルピペリジンNSC 897434-PHENYLPIPERDINEAKOS BBS-00003581TIMTEC-BB SBB003943RARECHEM AH CK 01604-Phenyl piperadine4-Phenylpiperidine>4-PHENYLPIPERIDINE,99%

4-(phenyl)piperidine(4-phenyl)piperidineEINECS 212-243-1SCHEMBL4574CHEMBL20969CS-D0605AKOS000208931AB00564

データベース識別子

CAS: 771-99-3
PubChem CID: 69873
DTXSID: DTXSID40227890
ChEMBL: CHEMBL20969
UNII: 8V8IM567WT
EC Number: 212-243-1
Nikkaji: J99J

物性

構造計算による物性

XLogP: 2
極性表面積: 12 Å²
水素結合供与体数: 1
水素結合受容体数: 1
回転可能結合数: 1
重原子数: 12
形式電荷: 0
複雑度: 121

実験および物理化学的性質

Kovats Retention Index1454

物理化学的性質

融点: 61 · 61-65 °C (lit.)
沸点: 286 °C · 286 °C(lit.)
比重(密度): 1.062 g/mL · 1.062 g/mL at 25 °C(lit.)
屈折率: 20 · n20/D 1.588(lit.)
闪点: 230 °F · >230 °F
貯蔵温度: Keep in dark place,Inert atmosphere,Room temperature
外見: 粉
酸解離定数(Pka): 10.2 · 10.20±0.10(Predicted)
色: 黄色から茶色
水溶解度: 水に溶ける。
BRN: 124508 · 124508
InChI: InChI=1S/C11H15N/c1-2-4-10(5-3-1)11-6-8-12-9-7-11/h1-5,11-12H,6-9H2
InChIKey: UTBULQCHEUWJNV-UHFFFAOYSA-N
SMILES: N1CCC(C2=CC=CC=C2)CC1
CAS データベース: 771 · 771-99-3(CAS DataBase Reference)
NISTの化学物質情報: 4 · 4-Phenylpiperidine(771-99-3)

化学的性質

化学的特性off-white to light brown crystalline powder and/or

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H315 (98%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (98%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (96%): 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 50 reports by companies from 7 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.

危険有害性情報

Hazard Classes and CategoriesSkin Irrit. 2 (98%)；Eye Irrit. 2 (98%)；STOT SE 3 (96%)

安全データ

F: 10
wgk: 3
rtecs: TM2625000
ridadr: UN 2922 8/PG 2
hs_code: 29333990
risk_code: 36/37/38-34-11-20/21/22
hazard_code: T,Xi,C,F
safety_code: 26-36/37/39-45-37/39-36/37-16
hazard_class: IRRITANT

化学と産業

応用分野

用途有機合成原料。

使用4-Phenylpiperidine is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuff.

上流・下流製品情報

上流原料

カリウムヒドロキシドトルエンジ(2-エチルヘキシル)アミン塩化スルフィニルナトリウムアミドエチニルベンゼン

下流製品

1,3-Dimethyl-4-phenyl-4-piperidinol 4-(4-ブロモフェニル)ピペリジン 5-Benzofuranamine, 2,3-dihydro-2,4,6,7-tetramethyl-2-[(4-phenyl-1-piperidinyl)methyl]-

サプライヤー50 社

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

衢州润东化工有限公司0570-8789886 18892685668 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

上海泰矶林实业有限公司02150630626 17717886015 · [email protected]

河北展药生物科技有限公司15369953316 +8615369953316 · [email protected]

補足説明

定義4-Phenylpiperidine is a benzene ring bound to a piperidine ring. It is the base structure for a variety of opioids, such as pethidine (meperidine), ketobemidone, alvimopan, loperamide, and diphenoxylate.