1-(6-Hydroxy-2-naphthyl)ethan-1-on

1-(6-Hydroxy-2-naphthyl)ethan-1-one

HCID 82631CAS 10441-41-5

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Grundinformationen

Standard-SMILES: CC(=O)c1ccc2cc(O)ccc2c1
InChIKey: IWRHUCBSLVVLJD-UHFFFAOYSA-N
Summenformel: C12H10O2
Durchschnittliche Molmasse: 186,21 g/mol
Monoisotopische Masse: 186,06807956

Namen und Bezeichner

Bevorzugter Name: 1-(6-Hydroxy-2-naphthyl)ethan-1-one
IUPAC: 1-(6-hydroxynaphthalen-2-yl)ethanone
Lokaler Name: 1-(6-Hydroxy-2-naphthyl)ethan-1-on
Englischer Name: 1-(6-hydroxy-2-naphthyl)ethan-1-one
Summenformel: C12H10O2
Molmasse: 186.21

Namen und Synonyme

1-(6-Hydroxy-2-naphthyl)ethan-1-oneEINECS 233-923-4DTXSID50146467NSC 139891RefChem:426779DTXCID9068958233-923-410441-41-51-(6-hydroxynaphthalen-2-yl)ethanone1-(6-hydroxynaphthalen-2-yl)ethan-1-one6-ACETYL-2-NAPHTHOL1-(6-hydroxy-2-naphthyl)ethanone

Weitere Namen anzeigen

135354Naproxen Impurity 176-Acetyl-2-naphthol，98%ｍｉｎMethyl(6-hydroxy-2-naphtyl) ketone

MFCD001277091-(6-Hydroxy-2-naphthalenyl)ethanoneEthanone, 1-(6-hydroxy-2-naphthalenyl)-NSC139891Naproxen Impurity 522-hydroxy-6-acetylnaphthalene6-hydroxy-2-acetylnaphthaleneSCHEMBL1177919

Datenbank-Bezeichner

CAS: 10441-41-5
PubChem CID: 82631
DTXSID: DTXSID50146467
EC Number: 233-923-4
Nikkaji: J81.507A

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,7
Polarare Oberfläche (TPSA): 37,3 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 14
Formalladung: 0
Komplexität: 224

Physikochemische Eigenschaften

Schmelzpunkt: 171 °C · 171 °C(Solv: benzene (71-43-2))
Siedepunkt: 370.1 · 370.1±15.0 °C(Predicted)
Dichte: 1.36 g/cm3 · 1.36 g/cm3
storage temp.: -20 °C · -20°C Freezer
Löslichkeit: Chloroform (Slightly, Heated, Sonicated), Methanol (Slightly)
Aggregatzustand: Solid
pka: 8.75 · 8.75±0.40(Predicted)
Farbe: Off-White to Pale Yellow

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 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.