Indan-1-on

1-Indanone

HCID 6735CAS 30286-23-8

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Grundinformationen

Standard-SMILES: O=C1CCc2ccccc21
InChIKey: QNXSIUBBGPHDDE-UHFFFAOYSA-N
Summenformel: C9H8O
Durchschnittliche Molmasse: 132,16 g/mol
Monoisotopische Masse: 132,05751488

Überblick

Indan-1-one is an indanone that consists of 2,3-dihydro-1H-indene substituted by an oxo group at position 1.

Namen und Bezeichner

Bevorzugter Name: 1-Indanone
IUPAC: 2,3-dihydroinden-1-one
Lokaler Name: Indan-1-on
Englischer Name: 1-Indanone
Summenformel: C9H8O
Molmasse: 132.16

Namen und Synonyme

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

Weitere Namen anzeigen

IDOINDO2,3-Dihydro-1-indanoneIndone1-INDENONE

Indanone (VAN)2,3-Dihydro-1-indenoneDTXSID1058892NSC 2581NSC-2581EINECS 201-470-11H-INDAN-1-ONEV7021Y717I

Datenbank-Bezeichner

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

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,7
Polarare Oberfläche (TPSA): 17,1 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 0
Schwere Atome: 10
Formalladung: 0
Komplexität: 151

Experimentelle und physikochemische Eigenschaften

Chemical ClassesOther Classes -> Aromatic Ketones

SpringerMaterials PropertiesChemical shift

Physical Description · 2 Einträge

Off-white crystalline solid; [Alfa Aesar MSDS]

Solid

Physikochemische Eigenschaften

Schmelzpunkt: 38 · 38-40 °C(lit.)
Siedepunkt: 243 · 243-245 °C(lit.)
Dichte: 1.103 g/mL · 1.103 g/mL at 25 °C(lit.)
Brechungsindex: 1.561 · 1.5610 (estimate)
Flammpunkt: 233 °F · 233 °F
storage temp.: 30 °C · Store below +30°C.
Löslichkeit: 6.5 g/l · 6.5g/l
Aggregatzustand: Crystalline Mass
Farbe: Light yellow to brown
Geruch (Odor): Rather weak, woody and somewhat medicinal odor with an incense-like undertone.
Biologische Quelle: mouse
Odor Threshold: 0.0088 ppm · 0.0088ppm
Wasserlöslichkeit: 6.5 g/L · 6.5 g/L (20 C)
BRN: 507957 · 507957
Stabilität: Light sensitive
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
CAS Datenbank: 83 · 83-33-0(CAS DataBase Reference)
NIST chemische Informationen: 1 H-Inden-1-one, · 1H-Inden-1-one, 2,3-dihydro-(83-33-0)
EPA chemische Informationen: 1 H-Inden-1-one, · 1H-Inden-1-one, 2,3-dihydro- (83-33-0)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

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.

Gefahrenhinweise

Regulatory Information · 3 Einträge

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%)

Sicherheitsdaten

wgk: 3
tsca: TSCA listed
hs_code: 29143900
risk_code: 22-36/37/38
hazard_code: Xn,Xi
hazard_note: Irritant
safety_code: 22-24/25-36-26
Speicherklasse: 11 - Combustible Solids
Selbstentzündungstemperatur: 525 °C

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing Information1H-Inden-1-one, 2,3-dihydro-: ACTIVE

Anwendungen · 2 Einträge

Beschreibung1-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].

Verwenden1-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.