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

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

HCID 68455CAS 574-19-6

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Grundinformationen

Standard-SMILES: CC(=O)c1c(O)ccc2ccccc12
InChIKey: VUIOUIWZVKVFCI-UHFFFAOYSA-N
Summenformel: C12H10O2
Durchschnittliche Molmasse: 186,21 g/mol
Monoisotopische Masse: 186,06807956

Namen und Bezeichner

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

Namen und Synonyme

574-19-61-Acetyl-2-naphthol1-(2-Hydroxy-1-naphthyl)ethan-1-oneEINECS 209-369-4AI3-09312DTXSID10205988RefChem:422176DTXCID40128479209-369-42'-Hydroxy-1'-acetonaphthone1-(2-hydroxynaphthalen-1-yl)ethanone1-(2-Hydroxy-1-naphthalenyl)ethanone

Weitere Namen anzeigen

Naproxen Impurity 181-Acetyl-2-naphthol,98%2-Hydroxy-1-acetonaphtone2'-HYDROXY-1'-ACTONAPHTHONE1-Acetyl-2-hydroxynaphthlene

1-(2-Hydroxy-1-naphthyl)ethanone1-(2-hydroxynaphthalen-1-yl)ethan-1-one2-Hydroxy-1-acetonaphthoneEthanone, 1-(2-hydroxy-1-naphthalenyl)-MFCD000121311-Acetylnaphthalen-2-ol1-Acetyl-2-hydroxynaphthalene1'-Acetonaphthone, 2'-hydroxy-

Datenbank-Bezeichner

CAS: 574-19-6
PubChem CID: 68455
DTXSID: DTXSID10205988
EC Number: 209-369-4
Nikkaji: J95.010F

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,1
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: 65 · 65-67 °C(lit.)
Siedepunkt: 130 · 130-132°C 2mm
Dichte: 1.1032 · 1.1032 (rough estimate)
Brechungsindex: 1.601 · 1.6010 (estimate)
Flammpunkt: 130 · 130-132°C/2mm
storage temp.: Sealed in dry,Room Temperature
Aggregatzustand: powder to crystal
pka: 8.12 · 8.12±0.50(Predicted)
Farbe: Light yellow to Brown to Dark green
BRN: 1869900 · 1869900
InChI: 1S/C12H10O2/c1-8(13)12-10-5-3-2-4-9(10)6-7-11(12)14/h2-7,14H,1H3
InChIKey: VUIOUIWZVKVFCI-UHFFFAOYSA-N
SMILES: CC(=O)c1c(O)ccc2ccccc12
CAS Datenbank: 574 · 574-19-6

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 (97.8%): 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 46 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.