Indan

INDANE · 2,3-DIHYDRO-1H-INDENE · 2,3-dihydro-1h-inden · Dihydroindene · HYDRINDENE · Benzocyclopentane · 2,3-Dihydroindene · 1H-Indene, 2,3-dihydro-

https://huagongshe.com/de/chemical/10326

Identifikatoren & physikalische Daten

CAS No.	496-11-7
Summenformel	C9H10
Durchschnittliche Molmasse	118,18 g/mol
Monoisotopische Masse	118,07825032 g/mol
SMILES	c1ccc2c(c1)CCC2
InChIKey	PQNFLJBBNBOBRQ-UHFFFAOYSA-N
PubChem CID	10326
ChEMBL	CHEMBL370687
ChEBI	CHEBI:37911
EC No.	207-814-7
DTXSID	DTXSID4052132
Lokaler Name	Indan

Chemische & physikalische Eigenschaften

XLogP	3,2
Polarare Oberfläche (TPSA)	0
H-Brücken-Donoren	0
H-Brücken-Akzeptoren	0
Frei drehbare Bindungen	0
Schwere Atome	9
Formalladung	0
Komplexität	84,2
Stoffklassen	Other Classes -> Aromatic Hydrocarbons
Arzneimittel	Pharmaceuticals -> Synthetic Cannabinoids or Psychoactive Compounds
SpringerMaterials Properties	13C nuclear magnetic resonance spectrum
LogP (Verteilungskoeffizient)	3.33
Dichte	0.963 @ 20°C0.965 g/mL at 25 °C (lit.)
Siedepunkt	176.5 °C @760 [mm Hg]176 °C (lit.)
Schmelzpunkt	-51.4 °C-51 °C (lit.)
Physical Description	Liquid[Merck Index] Clear light yellow liquid[Sigma-Aldrich MSDS]
Dampfdruck	1.5 at 25 °C (extrapolated, Ambrose and Sprake, 1975)
Brechungsindex	n20/D 1.537(lit.)
Flammpunkt	50 °C
Lagerbedingungen	Sealed in dry,Room Temperature
Löslichkeit	Soluble in alcohol, ether (Weast, 1986), and many aliphatic hydrocarbons (hexane, pentane), and aromatic hydrocarbons (benzene)Soluble in ethanol, diethyl ether, chloroform (slightly), and ether. Insoluble in water.
pKa (Säurekonstante)	>14 (Schwarzenbach et al., 1993)
Aggregatzustand	Liquid
Farbe	Clear colorless to yellow
Geruchsschwelle	0.0037ppm
Spezifische Wärmekapazität	Cp(liquid): 1.61 J/(g·K), at 25℃
Merck	14,4931
BRN	1904376
Henry-Konstante	(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	496-11-7(CAS DataBase Reference)
EPA chemische Informationen	Indan (496-11-7)

Sicherheit & Vorschriften

GHS-Einstufung	DangerH226 (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.
Regulatorische Informationen	1H-Indene, 2,3-dihydro-: Does not have an individual approval but may be used under an appropriate group standard
Gefahrenübersicht	May cause irritationAn aspiration hazard by ingestion (may cause lung injury)[Sigma-Aldrich MSDS] See Indene.
Hazard Classes and Categories	Flam. Liq. 3 (100%)
Protective Action Criteria (PAC)	20 [mg/m3]220 [mg/m3]1300 [mg/m3]
Wassergefährdungsklasse (WGK)	3
TSCA-Inventar-Status	TSCA listed
UN-Transportnummer	UN 3295 3/PG 3
Zollcode	29029090
RTECS-Nr.	NK3750000
R-Sätze (R)	10-65
Gefahrensymbole	Xn,F
hazard_note	Flammable
Sicherheitshinweise (S)	23-24/25-62
Gefahrenklasse	3Asp. Tox. 1Flam. Liq. 3
Verpackungsgruppe	III
Lagerklasse	3 - Flammable liquids

Anwendungen & Verwendung

Verwenden

Indane, is used as a catalytic agent, Petrochemical additive, used in organic synthesis. It is also used as pharmaceutical and chemical intermediate.

Herstellung & Synthese

synthetische

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%.