7-hydroxy-3,4-dihydro-2H-naphthalen-1-one

HCID 571818CAS 22009-38-7

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Grundinformationen

Standard-SMILES: O=C1CCCc2ccc(O)cc21
InChIKey: LGFSAJZSDNYVCW-UHFFFAOYSA-N
Summenformel: C10H10O2
Durchschnittliche Molmasse: 162,18 g/mol
Monoisotopische Masse: 162,06807956

Namen und Bezeichner

Bevorzugter Name: 7-hydroxy-3,4-dihydro-2H-naphthalen-1-one
IUPAC: 7-hydroxy-3,4-dihydro-2H-naphthalen-1-one
Englischer Name: 7-Hydroxy-1-tetralone
Summenformel: C10H10O2
Molmasse: 162.19

Namen und Synonyme

7-hydroxy-3,4-dihydro-2H-naphthalen-1-one3,4-dihydro-7-hydroxy-1(2H)-naphthalenoneRefChem:546545696-527-47-Hydroxy-1-tetralone22009-38-77-Hydroxy-3,4-dihydronaphthalen-1(2H)-oneMFCD013122257-HYDROXY-1,2,3,4-TETRAHYDRONAPHTHALEN-1-ONESCHEMBL3855547-Hydroxy-1-tetralone (5)7-Hydroxy-3,4-dihydro-1(2H)-naphthalenone

Weitere Namen anzeigen

4-dihydro-7-hydroxy-7-hydroxyl-1-tetraloneAgomelatine Impurity 487-Hydroxy-1-tetralone 99%Allisartan Isoproxil Impurity 247-hydroxy-1-tetrahydronaphthalone7- Hydroxyl -1-tetrahydronaphthalene7-Hydroxy-3,4-dihydro-2H-1-naphthone

MB01768AC-27437H16507-Hydroxytetralin-1-oneZ11981565797-hydroxytetralone1(2H)-Naphthalenone, 3,4-dihydro-7-hydroxy-AMY14181

Datenbank-Bezeichner

CAS: 22009-38-7
PubChem CID: 571818
DTXSID: DTXSID00341263
EC Number: 696-527-4
Nikkaji: J1.854.436I

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,7
Polarare Oberfläche (TPSA): 37,3 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 0
Schwere Atome: 12
Formalladung: 0
Komplexität: 188

Physikochemische Eigenschaften

Schmelzpunkt: 164 to · 164.0 to 168.0 °C
Siedepunkt: 215 °C/12mmHg · 215°C/12mmHg(lit.)
Dichte: 1.236 · 1.236±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
Aggregatzustand: powder to crystal
pka: 9.44 · 9.44±0.20(Predicted)
Farbe: White to Gray to Brown
InChI: InChI=1S/C10H10O2/c11-8-5-4-7-2-1-3-10(12)9(7)6-8/h4-6,11H,1-3H2
InChIKey: LGFSAJZSDNYVCW-UHFFFAOYSA-N
SMILES: C1(=O)C2=C(C=CC(O)=C2)CCC1

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 6 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory InformationStatus: Active Update: 29-07-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/19228

Hazard Classes and CategoriesAcute Tox. 4 (50%)

Sicherheitsdaten

hs_code: 2914500075
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden7-Hydroxy-1-tetralone, its derivatives and related fluorescent chalcones have been used as pharmacological tools to study the human histamine H3 receptor. Also C7-Substituted α-Tetralone derivatives have been study as Inhibitors of Monoamine Oxidase.