Indan-2-on

2-Indanone

HCID 11983CAS 615-13-4
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Grundinformationen

Standard-SMILES
O=C1Cc2ccccc2C1
InChIKey
UMJJFEIKYGFCAT-UHFFFAOYSA-N
Summenformel
C9H8O
Durchschnittliche Molmasse
132,16 g/mol
Monoisotopische Masse
132,05751488

Überblick

Indan-2-one is an indanone with an oxo substituent at position 2. It is a metabolite of indane. It has a role as a xenobiotic metabolite.

Namen und Bezeichner

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

Namen und Synonyme

2-INDANONEIndan-2-one1,3-Dihydro-2H-inden-2-one2H-Inden-2-one, 1,3-dihydro-1,3-dihydroinden-2-oneEINECS 210-410-3DTXSID7052288b-HydrindoneBRN 06365500I79N673DEUNII-0I79N673DEAI3-39163
Weitere Namen anzeigen
2-lndanone2-Indene2-Indenone2-OXOINDANE2-indanonesINDANONE(2-)
4-07-00-01002 (Beilstein Handbook Reference)DTXCID1030860CHEBI:27930RefChem:87640InChI=1/C9H8O/c10-9-5-7-3-1-2-4-8(7)6-9/h1-4H,5-6HUMJJFEIKYGFCAT-UHFFFAOYSA-N615-13-41h-inden-2(3h)-one

Datenbank-Bezeichner

CAS
615-13-4
PubChem CID
11983
DTXSID
DTXSID7052288
ChEMBL
CHEMBL195557
ChEBI
CHEBI:27930
UNII
0I79N673DE
EC Number
210-410-3
Nikkaji
J7.027K

Eigenschaften

Berechnete Struktureigenschaften

XLogP
1,3
Polarare Oberfläche (TPSA)
17,1 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
1
Frei drehbare Bindungen
0
Schwere Atome
10

Experimentelle und physikochemische Eigenschaften

SpringerMaterials PropertiesSchoenflies notation
FragrancesFragrance Ingredient (2H-Inden-2-one, 1,3-dihydro-) -> IFRA transparency List

Physikochemische Eigenschaften

Schmelzpunkt
51 · 51-54 °C (lit.)
Siedepunkt
218 °C · 218°C
Dichte
1.0712 · 1.0712
Brechungsindex
1.538 · 1.5380 (estimate)
Flammpunkt
212 °F · 212 °F
storage temp.
2 · 2-8°C

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 3 Einträge

This chemical does not meet GHS hazard criteria for 97.9% (93 of 95) of all reports.

Not Classified

Aggregated GHS information provided per 95 reports by companies from 3 notifications to the ECHA C&L Inventory.

Gefahrenhinweise

Regulatory Information · 2 Einträge

Chemical: 2H-Inden-2-one, 1,3-dihydro-

Status: Active Update: 25-03-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/32342

Hazard Classes and CategoriesNot Classified

Sicherheitsdaten

F
3
wgk
3
tsca
TSCA listed
hs_code
29145090
RTECS-Nr.
NK7535500
risk_code
36/37/38

Chemie und Industrie

Verwendung und Herstellung

Use ClassificationFragrance Ingredients
General Manufacturing Information2H-Inden-2-one, 1,3-dihydro-: ACTIVE
Anwendungen · 1 Eintrag

Verwenden2-Indanone undergoes TiCl4-Mg mediated coupling with CHBr3 to yield dibromomethyl carbinol. It reacts with 5,5-dimethyl-3-pyrazolidinone to yield 5,5-dimethyl-2-(1H-indenyl-2)-3-pyrazolidinone. On photolysis by 266-nm one-photon excitation yields o-xylylene. It was used as starting reagent in the synthesis of indene-fused porphyrins.

Darstellung · 1 Eintrag

synthetische2-Indanone is prepared by using acetic acid as solvent, acetic anhydride as catalyst and through hydrogen peroxide oxidation into 1, 2-indenediol, which reacted with dilute sulfuric acid solution in order to obtain crude 2-indanone. Finally, vacuum sublimation to obtain 2-indanone with high-purity, the total yield is 89%.

Vor- und nachgelagerte Produkte

Anbieter50 Anbieter

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
Ergänzende Hinweise · 1 Eintrag

DefinitionChEBI: 2-Indanone is an indanone with an oxo substituent at position 2. It is a metabolite of indane. It has a role as a xenobiotic metabolite. 2-Indanone is an intermediate for the preparation of aprindine hydrochloride and ceforanide. It is an important intermediate in organic synthesis.

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