기본 정보
- CAS
496-11-7- 표준 SMILES
c1ccc2c(c1)CCC2- InChIKey
PQNFLJBBNBOBRQ-UHFFFAOYSA-N- 분자식
- C9H10
- 평균 분자량
- 118.18 g/mol
- 단동위원소 질량
- 118.07825032
개요
Indane is an ortho-fused bicyclic hydrocarbon consisting of a benzene ring fused to a cyclopentane ring; a high-boiling (176 oC) colourless liquid. It is an ortho-fused bicyclic hydrocarbon and a member of indanes.
이름 및 식별자
- 우선 이름
- Indane
- IUPAC
- 2,3-dihydro-1H-indene
- 현지명
- 인단
- 영어명
- Indan
- 분자식
- C9H10
- 분자량
- 118.18
이름 및 동의어
INDANIndane2,3-Dihydro-1H-indene496-11-7Hydrindene1H-Indene, 2,3-dihydro-BenzocyclopentaneHydrindonaphtheneDTXSID4052132H9SCX043IGNSC-5292DTXCID9030701
이름 더 보기
인단2,3-디하이드로-1H-인덴2,3-dihydro-1h-indenDihydroindeneIndan>
CHEBI:37911RefChem:790887207-814-72,3-Dihydroindene1,2-HydrindeneIndene, 2,3-dihydro-NSC 5292MFCD00003795
데이터베이스 식별자
- CAS
496-11-7、56573-11-6- PubChem CID
- 10326
- DTXSID
DTXSID4052132- ChEMBL
CHEMBL370687- ChEBI
CHEBI:37911- UNII
- H9SCX043IG
- EC Number
- 207-814-7
- Nikkaji
- J20.933C
물성
구조 계산 물성
- XLogP
- 3.2
- 극성 표면적
- 0 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 0
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 9
- 형식 전하
- 0
- 복잡도
- 84.2
실험 및 물리화학적 성질
Chemical ClassesOther Classes -> Aromatic Hydrocarbons
DrugsPharmaceuticals -> Synthetic Cannabinoids or Psychoactive Compounds
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
LogP3.33
Density0.963 @ 20°C
Boiling Point176.5 °C @760 [mm Hg]
Melting Point-51.4 °C
Physical DescriptionLiquid; [Merck Index] Clear light yellow liquid; [Sigma-Aldrich MSDS]
물리화학적 성질
- 녹는점
- -51 °C · -51 °C (lit.)
- 끓는 점
- 176 °C · 176 °C (lit.)
- 밀도
- 0.965 g/mL · 0.965 g/mL at 25 °C (lit.)
- 증기압
- 1.5 at · 1.5 at 25 °C (extrapolated, Ambrose and Sprake, 1975)
- 굴절률
- 20 · n20/D 1.537(lit.)
- 인화점
- 50 °C · 50 °C
- 저장 조건
- Sealed in dry,Room Temperature
- 용해도
- Soluble in alcohol, ether (Weast, 1986), and many aliphatic hydrocarbons (hexane, pentane), and aromatic hydrocarbons (benzene)
- 산도 계수 (pKa)
- 14 · >14 (Schwarzenbach et al., 1993)
- 물리적 상태
- 액체
- 색상
- 무색~황색으로 투명함
- Odor Threshold
- 0.0037 ppm · 0.0037ppm
- 수용성
- 에탄올, 디에틸 에테르, 클로로포름 (약간 용해됨) 및 에테르에 용해됩니다. 물에 불용성.
- 비열
- 1.61 J/ · Cp(liquid): 1.61 J/(g·K), at 25℃
- Merck
- 14 · 14,4931
- BRN
- 1904376 · 1904376
- Henry's Law Constant
- (x 10-3 atmm3/mol): 2.14 at 25 °C (approximate - calculated from water solubility and vapor pressure)
- 안정성
- 안정적인. 가연성. 강한 산화제와 호환되지 않습니다.
- InChI
- 1S/C9H10/c1-2-5-9-7-3-6-8(9)4-1/h1-2,4-5H,3,6-7H2
- InChIKey
- PQNFLJBBNBOBRQ-UHFFFAOYSA-N
- SMILES
- C1Cc2ccccc2C1
- EPA
- Indan (496-11-7)
화학적 성질
Indane is a colourless to faintly yellow liquid. Insoluble in water, soluble in alcohol, ether and other organic solvents in any proportion.
안전 및 규제
GHS 분류
GHS Classification
Danger
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P280, P301+P316, P303+P361+P353, P331, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 107 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information1H-Indene, 2,3-dihydro-: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryMay cause irritation; An aspiration hazard by ingestion (may cause lung injury); [Sigma-Aldrich MSDS] See Indene.
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
안전 및 보호
Protective Action Criteria (PAC)
20 [mg/m3]
220 [mg/m3]
1300 [mg/m3]
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- NK3750000
- ridadr
- UN 3295 3/PG 3
- HS 번호
- 29029090
- risk_code
- 10-65
- hazard_code
- Xn,F
- safety_code
- 23-24/25-62
- 포장분류
- III
- 위험 등급
- 3
- 위험 참고 사항
- Flammable
- Hazard Classifications
- Asp. Tox. 1Flam. Liq. 3
- 스토리지 클래스
- 3 - Flammable liquids
화학 및 산업
약리 정보
Cellular LocationsMembrane
용도 및 제조
UsesFound in coal tar; [Merck Index]
Household ProductsInformation on 2 consumer products that contain Indan in the following categories is provided:
General Manufacturing Information1H-Indene, 2,3-dihydro-: ACTIVE
응용 분야
용도Indane, is used as a catalytic agent, Petrochemical additive, used in organic synthesis. It is also used as pharmaceutical and chemical intermediate.
제조 방법
Taking heavy benzene with a Indan content of 35% as a raw material, rectifying it through an emulsification tower, and cutting the 182°C fraction from the top of the tower, that is, Indan with a content of more than 90%.
상·하류 제품 정보
상류 원료
하류 제품
추가 설명
정의ChEBI: Indane is an ortho-fused bicyclic hydrocarbon consisting of a benzene ring fused to a cyclopentane ring; a high-boiling (176°C) colourless liquid. It is a member of indanes and an ortho-fused bicyclic hydrocarbon.
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