기본 정보
- 표준 SMILES
C1CC2CCCC3CCC(C1)C23- InChIKey
FZDZWLDRELLWNN-UHFFFAOYSA-N- 분자식
- C12H20
- 평균 분자량
- 164.29 g/mol
- 단동위원소 질량
- 164.15650064
이름 및 식별자
- 우선 이름
- Acenaphthylene, dodecahydro-
- IUPAC
- 1,2,3,3a,4,5,5a,6,7,8,8a,8b-dodecahydroacenaphthylene
- 현지명
- 과수소아세나프텐
- 영어명
- perhydroacenaphthene
- 분자식
- C12H20
- 분자량
- 164.29
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
2146-36-3- PubChem CID
- 102215
- DTXSID
DTXSID10883801- EC Number
- 218-412-6
- Nikkaji
- J298.732E
물성
구조 계산 물성
- XLogP
- 4.9
- 극성 표면적
- 0 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 0
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 12
- 형식 전하
- 0
- 복잡도
- 155
실험 및 물리화학적 성질
물리화학적 성질
- 녹는점
- 36 ℃ · 36℃
- 끓는 점
- 235 ℃ · 235℃
- 밀도
- 1.029 g/cm3 · 1.029 g/cm3
- 굴절률
- 1.577 · 1.577 (589.3 nm 20℃)
- 저장 조건
- 2 · 2-8°C
- 물리적 상태
- 액체
- 색상
- 갈색을 띤 노란색
- InChI
- InChI=1S/C12H20/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11/h9-12H,1-8H2
- InChIKey
- FZDZWLDRELLWNN-UHFFFAOYSA-N
- SMILES
- C1C2C3C(CCC2)CCCC3C1
- EPA
- Acenaphthylene, dodecahydro- (2146-36-3)
안전 및 규제
GHS 분류
GHS Classification
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.
유해성 정보
안전 데이터
- tsca
- TSCA listed
화학 및 산업
용도 및 제조
응용 분야
용도Perhydroacenaphthene 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.
제조 방법
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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