5,8-Dihydro-1-naphthol

HCID 97466CAS 27673-48-9

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Grundinformationen

Standard-SMILES: Oc1cccc2c1CC=CC2
InChIKey: OAHLLHJOPUWLKW-UHFFFAOYSA-N
Summenformel: C10H10O
Durchschnittliche Molmasse: 146,19 g/mol
Monoisotopische Masse: 146,07316494

Namen und Bezeichner

Bevorzugter Name: 5,8-Dihydro-1-naphthol
IUPAC: 5,8-dihydronaphthalen-1-ol
Lokaler Name: 5,8-Dihydro-1-naphthol
Englischer Name: 5,8-Dihydronaphthol
Summenformel: C10H10O
Molmasse: 146.19

Namen und Synonyme

5,8-Dihydro-1-naphthol27673-48-9NSC 125584EINECS 248-596-3DTXSID30182040RefChem:528340DTXCID40104531248-596-35,8-dihydronaphthalen-1-ol1-Naphthalenol, 5,8-dihydro-5,8-Dihydro-naphthalen-1-ol5,8-Dihydro-1-naphthalenol

Weitere Namen anzeigen

Dihydronaphthol5,8-DIHYDRO NAPTHOL5,8-Di Hydro Naphthol5,8-Dihydronaphthalene-1-ol

MFCD001282475,8-Dihydro-1-naphthol (90per cent)5,8-Dihydronaphthol5,8-Dihydro-1-naphthol (>80%)5,8-Dihydronaphtol5,8-Dihydro-1-naphthol (90%)5-Hydroxy-1,4-dihydronaphthaleneNSC125584

Datenbank-Bezeichner

CAS: 27673-48-9
PubChem CID: 97466
DTXSID: DTXSID30182040
EC Number: 248-596-3
Nikkaji: J250.569J

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,7
Polarare Oberfläche (TPSA): 20,2 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 0
Schwere Atome: 11
Formalladung: 0
Komplexität: 162

Physikochemische Eigenschaften

Schmelzpunkt: 56 · 56-60°C
Siedepunkt: 120 °C · 120 °C(Press: 1 Torr)
Dichte: 1.142 · 1.142±0.06 g/cm3(Predicted)
storage temp.: 2 · Sealed in dry,2-8°C
Löslichkeit: soluble in Chloroform, DMSO, Methanol
Aggregatzustand: Solid
pka: 10.18 · 10.18±0.20(Predicted)
Farbe: Dark Brown
InChI: InChI=1S/C10H10O/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-3,5,7,11H,4,6H2
InChIKey: OAHLLHJOPUWLKW-UHFFFAOYSA-N
SMILES: C1(O)=C2C(CC=CC2)=CC=C1
CAS Datenbank: 27673 · 27673-48-9(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (91.3%): Harmful if swallowed [Warning Acute toxicity, oral]；H319 (17.4%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H411 (91.3%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P264, P264+P265, P270, P273, P280, P301+P317, P305+P351+P338, P330, P337+P317, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.