5,6,7,8-Tetrahydro-1-naphthol (HCID 68258)

Überblick

5,6,7,8-tetrahydro-1-naphthol is 1-naphthol hydrogenated at C-5, -6, -7 and -8.

Namen und Bezeichner

Bevorzugter Name: 5,6,7,8-Tetrahydro-1-naphthol
IUPAC: 5,6,7,8-tetrahydronaphthalen-1-ol
Lokaler Name: 5,6,7,8-Tetrahydro-1-naphthol
Englischer Name: 5,6,7,8-TETRAHYDRO-1-NAPHTHOL
Summenformel: C10H12O
Molmasse: 148.2

Namen und Synonyme

5,6,7,8-Tetrahydro-1-naphthol5,6,7,8-tetrahydronaphthalen-1-ol5-Hydroxytetralintetralin-5-ol1-Naphthalenol, 5,6,7,8-tetrahydro-5,6,7,8-Tetrahydro-1-naphthalenol5,6,7,8-tetrahydronaphtholUNII-1R7B5I98HV1R7B5I98HV1,2,3,4-Tetrahydro-5-hydroxynaphthalene1-hydroxy-5,6,7,8-tetrahydronaphthalene1,2,3,4-tetrahydro-5-naphthol

Weitere Namen anzeigen

Tetrahydro-alpha-naphthol5,6,7,8-TETRAHYDRO-1-NAPTHOL

EINECS 208-461-1NSC 28822NSC-28822DTXSID8074570CHEBI:459005,6,7,8-TetrahydronaphthalenolNaphthalenol, 5,6,7,8-tetrahydro-5,6,7,8-TETRAHYDRO-1-HYDROXYNAPHTHALENE

Datenbank-Bezeichner

CAS: 529-35-1
PubChem CID: 68258
DTXSID: DTXSID8074570
ChEMBL: CHEMBL449132
ChEBI: CHEBI:45900
UNII: 1R7B5I98HV
EC Number: 208-461-1
Nikkaji: J6.685K

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,9
Polarare Oberfläche (TPSA): 20,2 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 0
Schwere Atome: 11
Formalladung: 0
Komplexität: 133

Experimentelle und physikochemische Eigenschaften

SpringerMaterials PropertiesSurface tension

Physikochemische Eigenschaften

Schmelzpunkt: 69 · 69-71 °C(lit.)
Siedepunkt: 264 · 264-265 °C705 mm Hg(lit.)
Dichte: 1.0556 · 1.0556
Brechungsindex: 1.5 · 1.5000 (estimate)
Flammpunkt: 264 · 264-265°C/705mm
storage temp.: Inert atmosphere,Room Temperature
Löslichkeit: Chloroform (Slightly), Methanol (Slightly)
Aggregatzustand: Solid
pka: 1 · pK1:10.28 (25°C)
Farbe: Off-White to Pale Orange
BRN: 1865081 · 1865081
InChI: InChI=1S/C10H12O/c11-10-7-3-5-8-4-1-2-6-9(8)10/h3,5,7,11H,1-2,4,6H2
InChIKey: SCWNNOCLLOHZIG-UHFFFAOYSA-N
SMILES: C1(O)=C2C(CCCC2)=CC=C1
CAS Datenbank: 529 · 529-35-1(CAS DataBase Reference)
EPA chemische Informationen: 1 · 1-Naphthalenol, 5,6,7,8-tetrahydro- (529-35-1)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 135 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 2 Einträge

Chemical: 1-Naphthalenol, 5,6,7,8-tetrahydro-

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Hazard Classes and CategoriesAcute Tox. 4 (66.7%)

Sicherheitsdaten

wgk: 3
tsca: TSCA listed
hs_code: 29071990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing Information1-Naphthalenol, 5,6,7,8-tetrahydro-: ACTIVE

Anwendungen · 1 Eintrag

Verwenden5,6,7,8-Tetrahydro-1-naphthalenol was used as a reagent in the synthesis of phosphonamidate and phosphonodiamidate prodrugs of adefovir and tenofovir which are used in the treatment of HIV infections. Also used in the synthesis of tetrahydronaphthalene-1-ol derivatives which were found to be promising potent antitumor agents.