Grundinformationen
- Standard-SMILES
c1ccc2c(c1)CCC2- InChIKey
PQNFLJBBNBOBRQ-UHFFFAOYSA-N- Summenformel
- C9H10
- Durchschnittliche Molmasse
- 118,18 g/mol
- Monoisotopische Masse
- 118,07825032
Überblick
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.
Namen und Bezeichner
- Bevorzugter Name
- Indane
- IUPAC
- 2,3-dihydro-1H-indene
- Lokaler Name
- Indan
- Englischer Name
- Indan
- Summenformel
- C9H10
- Molmasse
- 118.18
Namen und Synonyme
INDANIndane2,3-Dihydro-1H-indene496-11-7Hydrindene1H-Indene, 2,3-dihydro-BenzocyclopentaneHydrindonaphtheneDTXSID4052132H9SCX043IGNSC-5292DTXCID9030701
Weitere Namen anzeigen
2,3-dihydro-1h-indenDihydroindeneIndan>
CHEBI:37911RefChem:790887207-814-72,3-Dihydroindene1,2-HydrindeneIndene, 2,3-dihydro-NSC 5292MFCD00003795
Datenbank-Bezeichner
- 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
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,2
- Polarare Oberfläche (TPSA)
- 0 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 0
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 9
- Formalladung
- 0
- Komplexität
- 84,2
Experimentelle und physikochemische Eigenschaften
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]
Physikochemische Eigenschaften
- Schmelzpunkt
- -51 °C · -51 °C (lit.)
- Siedepunkt
- 176 °C · 176 °C (lit.)
- Dichte
- 0.965 g/mL · 0.965 g/mL at 25 °C (lit.)
- Dampfdruck
- 1.5 at · 1.5 at 25 °C (extrapolated, Ambrose and Sprake, 1975)
- Brechungsindex
- 20 · n20/D 1.537(lit.)
- Flammpunkt
- 50 °C · 50 °C
- storage temp.
- Sealed in dry,Room Temperature
- Löslichkeit
- Soluble in alcohol, ether (Weast, 1986), and many aliphatic hydrocarbons (hexane, pentane), and aromatic hydrocarbons (benzene)
- pka
- 14 · >14 (Schwarzenbach et al., 1993)
- Aggregatzustand
- Liquid
- Farbe
- Clear colorless to yellow
- Odor Threshold
- 0.0037 ppm · 0.0037ppm
- Wasserlöslichkeit
- Soluble in ethanol, diethyl ether, chloroform (slightly), and ether. Insoluble in water.
- Spezifische Wärmekapazität
- 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)
- Stabilität
- Stable. Flammable. Incompatible with strong oxidizing agents.
- 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
- CAS Datenbank
- 496 · 496-11-7(CAS DataBase Reference)
- EPA chemische Informationen
- Indan (496-11-7)
Sicherheit und Regulatorisches
GHS-Klassifizierung
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.
Gefahrenhinweise
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%)
Sicherheit und Schutzausrüstung
Protective Action Criteria (PAC)
20 [mg/m3]
220 [mg/m3]
1300 [mg/m3]
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 3295 3/PG 3
- hs_code
- 29029090
- RTECS-Nr.
- NK3750000
- risk_code
- 10-65
- hazard_code
- Xn,F
- hazard_note
- Flammable
- safety_code
- 23-24/25-62
- hazard_class
- 3
- packing_group
- III
- Speicherklasse
- 3 - Flammable liquids
- Hazard Classifications
- Asp. Tox. 1Flam. Liq. 3
Chemie und Industrie
Pharmakologische Informationen
Cellular LocationsMembrane
Verwendung und Herstellung
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
Anwendungen
VerwendenIndane, is used as a catalytic agent, Petrochemical additive, used in organic synthesis. It is also used as pharmaceutical and chemical intermediate.
Darstellung
synthetischeTaking 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%.
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Nachgelagerte Produkte
Ergänzende Hinweise
DefinitionChEBI: 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.
Zugehörige Reaktionen
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