4-Hydroxy-1-indanone

HCID 590547CAS 40731-98-4

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Grundinformationen

Standard-SMILES: O=C1CCc2c(O)cccc21
InChIKey: CKSCMRNFDBWFND-UHFFFAOYSA-N
Summenformel: C9H8O2
Durchschnittliche Molmasse: 148,16 g/mol
Monoisotopische Masse: 148,05242949

Namen und Bezeichner

Bevorzugter Name: 4-Hydroxy-1-indanone
IUPAC: 4-hydroxy-2,3-dihydroinden-1-one
Englischer Name: 4-Hydroxyindan-1-one
Summenformel: C9H8O2
Molmasse: 148.16

Namen und Synonyme

4-Hydroxy-1-indanone40731-98-4DTXSID60343561RefChem:523696DTXCID60294640624-176-94-Hydroxyindanone4-hydroxyindan-1-one4-HYDROXY-2,3-DIHYDRO-1H-INDEN-1-ONE4-hydroxy-2,3-dihydroinden-1-one2,3-dihydro-4-hydroxyinden-1-one4-hydroxy-indan-1-one

Weitere Namen anzeigen

Hydroxyindanone4-HYDROXYINDANONE 98+%4-Hydroxy-1-indanone>4-Hydroxy-1-indanone,97%

MFCD001433301H-Inden-1-one, 2,3-dihydro-4-hydroxy-4-Hydroxy-indanone2,3-Dihydro-4-hydroxy-1H-inden-1-oneSCHEMBL389461SCHEMBL5541367SCHEMBL6199163SCHEMBL29392687

Datenbank-Bezeichner

CAS: 40731-98-4
PubChem CID: 590547
DTXSID: DTXSID60343561
EC Number: 624-176-9
Nikkaji: J20.944I

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,3
Polarare Oberfläche (TPSA): 37,3 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 0
Schwere Atome: 11
Formalladung: 0
Komplexität: 176

Physikochemische Eigenschaften

Schmelzpunkt: 242 · 242-244 °C (lit.)
Siedepunkt: 307.6 · 307.6±31.0 °C(Predicted)
Dichte: 1.305 · 1.305±0.06 g/cm3(Predicted)
storage temp.: Inert atmosphere,Room Temperature
Löslichkeit: Soluble in ethanol. (25mg/ml)
Aggregatzustand: powder to crystal
pka: 9.22 · 9.22±0.20(Predicted)
Farbe: White to Orange to Green
InChI: InChI=1S/C9H8O2/c10-8-3-1-2-6-7(8)4-5-9(6)11/h1-3,10H,4-5H2
InChIKey: CKSCMRNFDBWFND-UHFFFAOYSA-N
SMILES: C1(=O)C2=C(C(O)=CC=C2)CC1
CAS Datenbank: 40731 · 40731-98-4(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 43 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.7%)

Sicherheitsdaten

wgk: 3
hs_code: 29145090
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen

Verwenden4-Hydroxy-1-indanone is a hydroxylated indanone used for synthesis. It is an important raw material and intermediate used in Organic Synthesis, Pharmaceuticals, Agrochemicals and Dyestuffs.