Grundinformationen
- Standard-SMILES
COc1ccc2cc(C(C)=O)ccc2c1- InChIKey
GGWCZBGAIGGTDA-UHFFFAOYSA-N- Summenformel
- C13H12O2
- Durchschnittliche Molmasse
- 200,23 g/mol
- Monoisotopische Masse
- 200,08372962
Namen und Bezeichner
- Bevorzugter Name
- 2-Acetyl-6-methoxynaphthalene
- IUPAC
- 1-(6-methoxynaphthalen-2-yl)ethanone
- Lokaler Name
- 1-(6-Methoxy-2-naphthyl)ethan-1-on
- Englischer Name
- 2-Acetyl-6-methoxynaphthalene
- Summenformel
- C13H12O2
- Molmasse
- 200.23
Namen und Synonyme
2-Acetyl-6-methoxynaphthalene3900-45-66'-Methoxy-2'-acetonaphthone1-(6-Methoxynaphthalen-2-yl)ethanoneEthanone, 1-(6-methoxy-2-naphthalenyl)-1-(6-Methoxy-2-naphthalenyl)ethanoneEINECS 223-453-8NSC 105564UNII-61VBH3537C61VBH3537CNSC-1055646-METHOXY-2-NAPHTHYL METHYL KETONE
Weitere Namen anzeigen
6-ACETYL-2-METHOXYNAPHTHALENENaproxen Related CoMpound L2-acetyl-6-methoxy napthalene2-Methoxy-6-Acetylnaphthalene1-(6-methoxy-2-naphthyl)ethanone1-(6-Methoxy-2-naphehalenyl)ethanoneNAPRO-001Acetylnerolin
DTXSID60192278EC 223-453-8NAPROXEN IMPURITY L [EP IMPURITY]1-(2-METHOXYNAPHTHALEN-6-YL)ETHANONENAPROXEN SODIUM IMPURITY L [EP IMPURITY]NAPROXEN IMPURITY L (EP IMPURITY)NAPROXEN SODIUM IMPURITY L (EP IMPURITY)RefChem:84985
Datenbank-Bezeichner
- CAS
3900-45-6- PubChem CID
- 77506
- DTXSID
DTXSID60192278- UNII
- 61VBH3537C
- EC Number
- 223-453-8
- Nikkaji
- J30.385B
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,2
- Polarare Oberfläche (TPSA)
- 26,3 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 15
- Formalladung
- 0
- Komplexität
- 237
Physikochemische Eigenschaften
- Schmelzpunkt
- 107 · 107-109 °C(lit.)
- Siedepunkt
- 155 · 155-160°C 0,4mm
- Dichte
- 1.0907 · 1.0907 (rough estimate)
- Dampfdruck
- 0.009 Pa · 0.009Pa at 25℃
- Brechungsindex
- 1.5906 · 1.5906 (estimate)
- Flammpunkt
- 155 · 155-160°C/0.4mm
- storage temp.
- 2 · 2-8°C
- Löslichkeit
- Chloroform (Slightly), Methanol (Slightly)
- Aggregatzustand
- Powder
- Farbe
- Light yellow-beige
- Wasserlöslichkeit
- 760 mg/L · 760mg/L at 27℃
- BRN
- 1871098 · 1871098
- InChI
- InChI=1S/C13H12O2/c1-9(14)10-3-4-12-8-13(15-2)6-5-11(12)7-10/h3-8H,1-2H3
- InChIKey
- GGWCZBGAIGGTDA-UHFFFAOYSA-N
- SMILES
- C(=O)(C1=CC=C2C(=C1)C=CC(OC)=C2)C
- LogP
- 1.52 at · 1.52 at 27℃
- CAS Datenbank
- 3900 · 3900-45-6(CAS DataBase Reference)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H315 (97.8%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P271, P280, P302+P352, P304+P340, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 45 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory InformationStatus: Cease Manufacture Update: 07-02-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/10027
Hazard Classes and CategoriesSkin Irrit. 2 (97.8%)
Sicherheitsdaten
- wgk
- 3
- hs_code
- 29145000
- risk_code
- 37/38-36/37/38
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 37/39-26-36/37
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Aquatic Chronic 2Skin Irrit. 2
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