ドデカヒドロアセナフチレン

Acenaphthylene, dodecahydro-

HCID 102215

基本情報

CAS
2146-36-3
標準SMILES
C1CC2CCCC3CCC(C1)C23
InChIKey
FZDZWLDRELLWNN-UHFFFAOYSA-N
分子式
C12H20
平均分子量
164.29 g/mol
単同位体質量
164.15650064

名称と識別子

優先名称
Acenaphthylene, dodecahydro-
IUPAC
1,2,3,3a,4,5,5a,6,7,8,8a,8b-dodecahydroacenaphthylene
現地名
ドデカヒドロアセナフチレン
英語名
perhydroacenaphthene
分子式
C12H20
分子量
164.29

名称と別名

DodecahydroacenaphthylenePerhydroacenaphthene2146-36-3Acenaphthylene, dodecahydro-DTXSID10883801EINECS 218-412-6RefChem:551468DTXCID601023287218-412-61,2,3,3a,4,5,5a,6,7,8,8a,8b-dodecahydroacenaphthyleneMFCD00130267cis,cis,cis-ufolane
名称をさらに表示
デカヒドロアセナフテントリシクロ[7.2.1.05,12]ドデカンドデカヒドロアセナフチレンペルヒドロアセナフチレンDecahydroacenaphtheneperhydroacephthenePerhydroacenaphthyleTricyclo[7.2.1.05,12]dodecaneTricyclo(6,3,1,04,12)dodecanePerhydroacenaphthene 2146-36-3 Decahydroacenaphthene
perhydroacenaphthyleneSCHEMBL210440cis,cis,cis-PerhydroacenaphteneSCHEMBL6160610AS-92225SY521263DS-002666CS-0101063

データベース識別子

CAS
2146-36-3
PubChem CID
102215
DTXSID
DTXSID10883801
EC Number
218-412-6
Nikkaji
J298.732E

物性

構造計算による物性

XLogP
4.9
極性表面積
0 Ų
水素結合供与体数
0
水素結合受容体数
0
回転可能結合数
0
重原子数
12

実験および物理化学的性質

SpringerMaterials PropertiesDensity

物理化学的性質

融点
36 ℃ · 36℃
沸点
235 ℃ · 235℃
比重(密度)
1.029 g/cm3 · 1.029 g/cm3
屈折率
1.577 · 1.577 (589.3 nm 20℃)
貯蔵温度
2 · 2-8°C
外見
液体

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H304 (100%): May be fatal if swallowed and enters airways [Danger Aspiration hazard]

P273, P301+P316, P331, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory InformationStatus: Active Update: 29-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/23833
Hazard Classes and CategoriesAsp. Tox. 1 (100%)

安全データ

tsca
TSCA listed

化学と産業

用途と製造

General Manufacturing InformationAcenaphthylene, dodecahydro-: INACTIVE
応用分野 · 1 件

使用Perhydroacenaphthene or dodecahydroacenaphthylene is used in the synthesis of Alkyladamantanes by the passage of the latter over the alumina catalyst in a flow-type plant with a metal reactor that has application in the field of nanotechnology.

調製方法 · 1 件

製造方法Perhydro acenaphthene is the main raw material of preparation 1,3-dimethyladamantane, is the important intermediate of preparation Derivatives of Adamantane.Derivatives of Adamantane is a kind of excellent antidementia agent, clinical research confirmation its have good efficacy to vascular dementia.The synthesis of Perhydroacenaphthene:1) adding industrial acenaphthylene to 95% ethanol, heating, refluxing and dissolving, then cooling, crystallizing, centrifuging to obtain refined acenaphthene, and carrying out distillation recycling of the filtrate;2) adding the refined acenaphthene and a catalyst Raney Ni into a high-pressure kettle, replacing gas in the kettle with hydrogen, filling hydrogen to make the pressure in the kettle rise to 0.8 MPa, heating up to about 180°C, starting a reaction for 5 h, continuously supplementing hydrogen during the reaction, making the pressure in the kettle rise slowly, and allowing the pressure after the reaction to be 4.0 MPa; 3) cooling after the reaction is finished, filtering the catalyst, and thus obtaining the perhydroacenaphthene.https://patents.google.com/patent/CN105461499A/en

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関連反応

8 件

化合物ノート

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