기본 정보
- 표준 SMILES
O=C1CCc2ccccc21- InChIKey
QNXSIUBBGPHDDE-UHFFFAOYSA-N- 분자식
- C9H8O
- 평균 분자량
- 132.16 g/mol
- 단동위원소 질량
- 132.05751488
개요
Indan-1-one is an indanone that consists of 2,3-dihydro-1H-indene substituted by an oxo group at position 1.
이름 및 식별자
- 우선 이름
- 1-Indanone
- IUPAC
- 2,3-dihydroinden-1-one
- 현지명
- 1-인다논
- 영어명
- 1-Indanone
- 분자식
- C9H8O
- 분자량
- 132.16
이름 및 동의어
1-Indanone83-33-02,3-Dihydro-1H-inden-1-oneIndan-1-oneINDANONEalpha-Hydrindone1-Indonealpha-Indanone1H-Inden-1-one, 2,3-dihydro-.alpha.-IndanoneHydrindone.alpha.-Hydrindone
이름 더 보기
1-인다논IDOINDO2,3-Dihydro-1-indanoneIndone1-INDENONE
Indanone (VAN)2,3-Dihydro-1-indenoneDTXSID1058892NSC 2581NSC-2581EINECS 201-470-11H-INDAN-1-ONEV7021Y717I
데이터베이스 식별자
- CAS
30286-23-8、83-33-0- PubChem CID
- 6735
- DTXSID
DTXSID1058892- ChEBI
CHEBI:17404- UNII
- V7021Y717I
- EC Number
- 201-470-1
- Nikkaji
- J4.629I
물성
구조 계산 물성
- XLogP
- 1.7
- 극성 표면적
- 17.1 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 10
- 형식 전하
- 0
- 복잡도
- 151
실험 및 물리화학적 성질
Chemical ClassesOther Classes -> Aromatic Ketones
SpringerMaterials PropertiesChemical shift
Physical Description
Off-white crystalline solid; [Alfa Aesar MSDS]
Solid
물리화학적 성질
- 녹는점
- 38 · 38-40 °C(lit.)
- 끓는 점
- 243 · 243-245 °C(lit.)
- 밀도
- 1.103 g/mL · 1.103 g/mL at 25 °C(lit.)
- 굴절률
- 1.561 · 1.5610 (estimate)
- 인화점
- 233 °F · 233 °F
- 저장 조건
- 30 °C · Store below +30°C.
- 용해도
- 6.5 g/L · 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
- Odor Threshold
- 0.0088 ppm · 0.0088ppm
- 수용성
- 6.5 g/L · 6.5g/L(20℃)
- BRN
- 507957 · 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
- 1 H-Inden-1-one, · 1H-Inden-1-one, 2,3-dihydro-(83-33-0)
- EPA
- 1 H-Inden-1-one, · 1H-Inden-1-one, 2,3-dihydro- (83-33-0)
화학적 성질
Pale yellow liquid
안전 및 규제
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 18.2% (4 of 22) of reports.
Warning
H302 (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.
유해성 정보
Regulatory Information
Chemical: 1H-Inden-1-one, 2,3-dihydro-
Status: Active Update: 03-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/24544
1H-Inden-1-one, 2,3-dihydro-: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryMay cause irritation; Toxic by ingestion; [Alfa Aesar MSDS] See 1-Tetralone.
Hazard Classes and CategoriesAcute Tox. 4 (72.7%)
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- HS 번호
- 29143900
- risk_code
- 22-36/37/38
- hazard_code
- Xn,Xi
- safety_code
- 22-24/25-36-26
- 위험 참고 사항
- Irritant
- 자연 발화 온도
- 525 °C
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
용도 및 제조
General Manufacturing Information1H-Inden-1-one, 2,3-dihydro-: ACTIVE
응용 분야
개요1-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].
용도1-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.
상·하류 제품 정보
상류 원료
하류 제품
추가 설명
정의ChEBI: An indanone that consists of 2,3-dihydro-1H-indene substituted by an oxo group at position 1.
관련 반응
270건
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