6-Hydroxy-3,4-dihydro-1(2H)-naphthalenone

HCID 4679494CAS 3470-50-6

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Grundinformationen

Standard-SMILES: O=C1CCCc2cc(O)ccc21
InChIKey: FNSQPQKPPGALFA-UHFFFAOYSA-N
Summenformel: C10H10O2
Durchschnittliche Molmasse: 162,18 g/mol
Monoisotopische Masse: 162,06807956

Namen und Bezeichner

Bevorzugter Name: 6-Hydroxy-3,4-dihydro-1(2H)-naphthalenone
IUPAC: 6-hydroxy-3,4-dihydro-2H-naphthalen-1-one
Englischer Name: 6-Hydroxy-1-tetralone
Summenformel: C10H10O2
Molmasse: 162.19

Namen und Synonyme

6-Hydroxy-3,4-dihydro-1(2H)-naphthalenoneRefChem:543381623-619-36-Hydroxy-1-tetralone3470-50-66-Hydroxy-3,4-dihydronaphthalen-1(2H)-one6-hydroxy-3,4-dihydro-2H-naphthalen-1-one6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-oneMFCD001566706-hydroxytetralone6-hydroxy tetraloneCHEMBL3288306

Weitere Namen anzeigen

enone4-dihydro-6-hydroxy-1-Tetralon-6-ol6-hydroxy-1-naphthone6-hydroxyl-1-tetralone6-Hydroxy-1-tetralone>6-HYDROXY-1-TETRALONE 98.5%6-Hydroxy-3,4-dihydro-1(2H)-naphthaL

DTXSID30405488BDBM50017515AKOS005258189AC-1123MB007846-hydroxy-2,3,4-trihydronaphthalen-1-one6-Hydroxy-3,4-dihydro-1(2H)-naphthalenone, 98%Z877546758

Datenbank-Bezeichner

CAS: 3470-50-6
PubChem CID: 4679494
DTXSID: DTXSID30405488
ChEMBL: CHEMBL3288306
EC Number: 623-619-3
Nikkaji: J68.590I

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: 154 · 154-157 °C(lit.)
Siedepunkt: 358 · 358.0±31.0 °C(Predicted)
Dichte: 1.236 · 1.236±0.06 g/cm3(Predicted)
storage temp.: Inert atmosphere,Room Temperature
pka: 8.22 · 8.22±0.20(Predicted)
Aggregatzustand: Crystalline Powder
Farbe: Off-white to brown
InChI: InChI=1S/C10H10O2/c11-8-4-5-9-7(6-8)2-1-3-10(9)12/h4-6,11H,1-3H2
InChIKey: FNSQPQKPPGALFA-UHFFFAOYSA-N
SMILES: C1(=O)C2=C(C=C(O)C=C2)CCC1
CAS Datenbank: 3470 · 3470-50-6(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

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 74 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.