Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
1-인다논
1-인다논 · 2,3-Dihydro-1H-inden-1-one · INDANONE · 1H-INDEN-1-ONE, 2,3-DIHYDRO- · IDO · INDO · INDAN-1-ONE · 2,3-Dihydro-1-indanone
식별자 및 물리적 특성
| CAS No. | 30286-23-8 |
|---|---|
| 분자식 | C9H8O |
| 평균 분자량 | 132.16 g/mol |
| 단동위원소 질량 | 132.05751488 g/mol |
| SMILES | O=C1CCc2ccccc21 |
| InChIKey | QNXSIUBBGPHDDE-UHFFFAOYSA-N |
| PubChem CID | 6735 |
| ChEBI | CHEBI:17404 |
| EC No. | 201-470-1 |
| DTXSID | DTXSID1058892 |
| 현지명 | 1-인다논 |
화학 및 물리적 성질
| XLogP | 1.7 |
|---|---|
| 극성 표면적 | 17.1 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 1 |
| 회전 가능 결합 수 | 0 |
| 무거운 원자 수 | 10 |
| 형식 전하 | 0 |
| 복잡도 | 151 |
| 물질 분류 | Other Classes -> Aromatic Ketones |
| SpringerMaterials Properties | Chemical shift |
| Physical Description | Off-white crystalline solid[Alfa Aesar MSDS] |
| 녹는점 | 38-40 °C(lit.) |
| 끓는 점 | 243-245 °C(lit.) |
| 밀도 | 1.103 g/mL at 25 °C(lit.) |
| 굴절률 | 1.5610 (estimate) |
| 인화점 | 233 °F |
| 저장 조건 | Store below +30°C. |
| 용해도 | 6.5g/L |
| 물리적 상태 | 결정질 덩어리 |
| 색상 | 밝은 노란색에서 갈색까지 |
| 냄새 | Rather weak, woody and somewhat medicinal odor with an incense-like undertone. |
| 생물학적 소스 | mouse |
| 후각 역치 | 0.0088ppm |
| 용해도 | 6.5g/L(20℃) |
| BRN | 507957 |
| 안정성 | 감광성 |
| InChI | 1S/C9H8O/c10-9-6-5-7-3-1-2-4-8(7)9/h1-4H,5-6H2 |
| InChIKey | QNXSIUBBGPHDDE-UHFFFAOYSA-N |
| SMILES | O=C1CCc2ccccc12 |
| NIST | 1H-Inden-1-one, 2,3-dihydro-(83-33-0) |
| EPA | 1H-Inden-1-one, 2,3-dihydro- (83-33-0) |
화학적 성질
Pale yellow liquid
안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 18.2% (4 of 22) of reports.WarningH302 (72.7%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 22 reports by companies from 6 notifications to the ECHA C&L Inventory. |
|---|---|
| 규제 정보 | Chemical: 1H-Inden-1-one, 2,3-dihydro-Status: Active Update: 03-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/245441H-Inden-1-one, 2,3-dihydro-: Does not have an individual approval but may be used under an appropriate group standard |
| 유해성 요약 | May cause irritationToxic by ingestion[Alfa Aesar MSDS] See 1-Tetralone. |
| Hazard Classes and Categories | Acute Tox. 4 (72.7%) |
| 수질 위해 등급(WGK) | 3 |
| TSCA 등재 상태 | TSCA listed |
| 관세 코드 | 29143900 |
| 위험 문구(R) | 22-36/37/38 |
| 위험 표시 | Xn,Xi |
| 안전 문구(S) | 22-24/25-36-26 |
| 위험 참고 사항 | Irritant |
| 자연 발화 온도 | 525 °C |
| 저장 분류 | 11 - Combustible Solids |
용도
개요
1-Indanone is an important skeletal structure with a wide range of biological activities. Extensive research has demonstrated that 1-indanone derivatives play a significant role in the development of drugs for the treatment of Alzheimer's disease, as well as in anti-diarrhoeal, anti-proliferative, antibacterial, anti-inflammatory and anti-cancer agents[1].
용도
1-Indanone is an oxidation product of Indan, a component of fuels, solvents, and varnishes. 1-Indanone is also a metabolite of Thalidomide that has been shown to inhibit the attachment of tumor cells to concanavalin A coated plastic surfaces.