7-Methoxy-1,2,3,4-tetrahydronaphthalin-1-on

7-Methoxy-1,2,3,4-tetrahydronaphthalen-1-one

HCID 81276CAS 6836-19-7

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Grundinformationen

Standard-SMILES: COc1ccc2c(c1)C(=O)CCC2
InChIKey: GABLTKRIYDNDIN-UHFFFAOYSA-N
Summenformel: C11H12O2
Durchschnittliche Molmasse: 176,21 g/mol
Monoisotopische Masse: 176,08372962

Überblick

7-Methoxy-3,4-dihydro-1(2H)-naphthalenone is a member of tetralins.

Namen und Bezeichner

Bevorzugter Name: 7-Methoxy-1,2,3,4-tetrahydronaphthalen-1-one
IUPAC: 7-methoxy-3,4-dihydro-2H-naphthalen-1-one
Lokaler Name: 7-Methoxy-1,2,3,4-tetrahydronaphthalin-1-on
Englischer Name: 7-Methoxy-1-tetralone
Summenformel: C11H12O2
Molmasse: 176.21

Namen und Synonyme

7-Methoxy-1,2,3,4-tetrahydronaphthalen-1-oneDTXSID30218494EINECS 229-916-0NSC 97611RefChem:546636DTXCID50140985229-916-07-Methoxy-1-tetralone6836-19-77-methoxy-3,4-dihydro-2H-naphthalen-1-one7-METHOXY-3,4-DIHYDRONAPHTHALEN-1(2H)-ONEMFCD00001696

Weitere Namen anzeigen

7-Methoxy-1-tetralon7-M7-Methoxy-1-tAgomelatine-87-Methoxy-1-tetraLMethoxy-1-tetralone7-methoxy-1-theamine

7-methoxytetralone1(2H)-Naphthalenone, 3,4-dihydro-7-methoxy-7-methoxy-tetralone7-methoxy-1-tetraione7-Methoxy-3,4-dihydro-1(2H)-naphthalenone7-methoxy-1,2,3,4-tetrahydro-1-naphthalenoneH4FZ2W25VZ7-methoxyl-1-tetralone

Datenbank-Bezeichner

CAS: 6836-19-7
PubChem CID: 81276
DTXSID: DTXSID30218494
ChEMBL: CHEMBL5186804
ChEBI: CHEBI:194932
UNII: H4FZ2W25VZ
EC Number: 229-916-0
Nikkaji: J81.282J

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2
Polarare Oberfläche (TPSA): 26,3 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 13
Formalladung: 0
Komplexität: 200

Physikochemische Eigenschaften

Schmelzpunkt: 59 · 59-63 °C (lit.)
Siedepunkt: 160 · 160-165 C
Dichte: 1.124 · 1.124±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
Löslichkeit: Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
Aggregatzustand: Crystalline Powder
Farbe: White to beige
Wasserlöslichkeit: 309 mg/L · 309mg/L at 25℃
BRN: 2208389 · 2208389
InChI: InChI=1S/C11H12O2/c1-13-9-6-5-8-3-2-4-11(12)10(8)7-9/h5-7H,2-4H2,1H3
InChIKey: GABLTKRIYDNDIN-UHFFFAOYSA-N
SMILES: C1(=O)C2=C(C=CC(OC)=C2)CCC1
LogP: 2.68 · 2.68
CAS Datenbank: 6836 · 6836-19-7(CAS DataBase Reference)
NIST chemische Informationen: 7 · 7-Methoxy-1-tetralone(6836-19-7)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P273, 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

Regulatory InformationStatus: Active Update: 08-12-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/21501

Hazard Classes and CategoriesSkin Irrit. 2 (50%)

Sicherheitsdaten

wgk: 3
hs_code: 29145090
risk_code: 20/21/22-36/37/38
hazard_code: Xn
safety_code: 22-24/25-36-26
Speicherklasse: 11 - Combustible Solids

Chemie und Industrie

Anwendungen

Verwenden7-methoxy-1-tetralone was used in the synthesis of 2,7-dimethoxy-1-tetralone, substituted derivatives of 3a,4,5,6-tetrahydrosuccinimido[3,4-b]acenaphthen-10-one and 13H-benzo[6-7]indolo[3,2-c]quinolines.