6-Methoxy-1,2,3,4-tetrahydronaphthalin-2-on
6-Methoxy-1,2,3,4-tetrahydronaphthalen-2-one
Grundinformationen
- CAS
2472-22-2- Standard-SMILES
COc1ccc2c(c1)CCC(=O)C2- InChIKey
RMRKDYNVZWKAFP-UHFFFAOYSA-N- Summenformel
- C11H12O2
- Durchschnittliche Molmasse
- 176,21 g/mol
- Monoisotopische Masse
- 176,08372962
Namen und Bezeichner
- Bevorzugter Name
- 6-Methoxy-1,2,3,4-tetrahydronaphthalen-2-one
- IUPAC
- 6-methoxy-3,4-dihydro-1H-naphthalen-2-one
- Lokaler Name
- 6-Methoxy-1,2,3,4-tetrahydronaphthalin-2-on
- Englischer Name
- 6-Methoxy-2-tetralone
- Summenformel
- C11H12O2
- Molmasse
- 176.21
Namen und Synonyme
6-Methoxy-2-tetralone2472-22-26-Methoxy-1,2,3,4-tetrahydronaphthalen-2-oneEINECS 219-592-9DTXSID50179452RefChem:543539DTXCID801019433,4Dihydro6methoxy2(1H)naphthalenone6Methoxy1,2,3,4tetrahydronaphthalen2one219-592-96-methoxy-3,4-dihydronaphthalen-2(1H)-one6-methoxy-3,4-dihydro-1H-naphthalen-2-one
Weitere Namen anzeigen
6-Methoxytetralin-2-oneCompound Fr122886-methoxy-2-Tetrlone4-dihydro-6-Methoxy-6-Methoxy-2-tetralone>6-METHOXY-2-TETRALONE 95%6-Methoxy-2-tetralone,98%
6-methoxyl-2-tetralone2(1H)-Naphthalenone, 3,4-dihydro-6-methoxy-MFCD000017296-Methoxy-3,4-dihydro-2(1H)-naphthalenone2672-22-23,4-DIHYDRO-6-METHOXYNAPHTHALEN-2(1H)-ONE3,4-Dihydro-6-methoxy-2(1H)-naphthalenoneMaybridge4_003003
Datenbank-Bezeichner
- CAS
2472-22-2- PubChem CID
- 75582
- DTXSID
DTXSID50179452- ChEMBL
CHEMBL445805- UNII
- LAV9W5N9D9
- EC Number
- 219-592-9
- Nikkaji
- J80.498C
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,6
- Polarare Oberfläche (TPSA)
- 26,3 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 13
- Formalladung
- 0
- Komplexität
- 200
Experimentelle und physikochemische Eigenschaften
Chemical ClassesOther Classes -> Aromatic Ketones
Physical DescriptionYellow to red-orange solid; mp = 33-35 deg C; [Acros Organics MSDS]
Physikochemische Eigenschaften
- Schmelzpunkt
- 28 · 28-35 °C
- Siedepunkt
- 114 · 114-116 °C (0.2 mmHg)
- Dichte
- 1.0431 · 1.0431 (rough estimate)
- Brechungsindex
- 20 · n20/D 1.5645(lit.)
- Flammpunkt
- 230 °F · >230 °F
- storage temp.
- 2 · 2-8°C
- Aggregatzustand
- Crystalline Low Melting Solid
- Farbe
- Light yellow-beige to orange
- BRN
- 513418 · 513418
- InChI
- InChI=1S/C11H12O2/c1-13-11-5-3-8-6-10(12)4-2-9(8)7-11/h3,5,7H,2,4,6H2,1H3
- InChIKey
- RMRKDYNVZWKAFP-UHFFFAOYSA-N
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazards SummaryMay cause irritation; [Acros Organics MSDS] See 6-Methoxy-alpha-tetralone and 1-Tetralone.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Sicherheitsdaten
- wgk
- 3
- hs_code
- 29145090
- hazard_code
- Xi
- safety_code
- 24/25
- hazard_class
- IRRITANT
- Speicherklasse
- 10 - Combustible liquids
Chemie und Industrie
Anwendungen
Beschreibung6-methoxy-2-tetralone has been selected as the starting material for the synthesis of many steroidal compounds, including 2-aminotetalin derivatives, which exhibit antifungal activities, tetrahydro benzocycloheptane and many terpenoid compounds. 6-methoxy-2-tetralone is more expensive, difficult to synthesize, and unstable in comparison to 6-methoxy-1-tetralone[1].
Verwenden6-Methoxy-3,4-dihydro-2(1H)-naphthalenone was used in the synthesis of 1, 2, 3, 4-tetrahydro-2-naphthylamine derivatives.
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