(S)-(-)-5,5',6,6',7,7',8,8'-Octahydro-1,1'-bi-2-naphthol
Grundinformationen
- CAS
65355-00-2- Standard-SMILES
Oc1ccc2c(c1-c1c(O)ccc3c1CCCC3)CCCC2- InChIKey
UTXIFKBYNJRJPH-UHFFFAOYSA-N- Summenformel
- C20H22O2
- Durchschnittliche Molmasse
- 294,4 g/mol
- Monoisotopische Masse
- 294,16197994
Überblick
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Namen und Bezeichner
- Bevorzugter Name
- (S)-(-)-5,5',6,6',7,7',8,8'-Octahydro-1,1'-bi-2-naphthol
- IUPAC
- 1-(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol
- Englischer Name
- (R)-(+)-5,5',6,6',7,7',8,8'-OCTAHYDRO-1,1'-BI-2-NAPHTHOL
- Summenformel
- C20H22O2
- Molmasse
- 294.39
Namen und Synonyme
65355-00-2(S)-(-)-5,5',6,6',7,7',8,8'-Octahydro-1,1'-bi-2-naphtholRefChem:407699621-676-965355-14-839648-74-3(R)-5,5',6,6',7,7',8,8'-Octahydro[1,1'-binaphthalene]-2,2'-diol(R)-(+)-5,5',6,6',7,7',8,8'-Octahydro-1,1'-bi-2-naphthol(S)-5,5',6,6',7,7',8,8'-Octahydro-[1,1'-binaphthalene]-2,2'-diol5,5',6,6',7,7',8,8'-Octahydro-1,1'-bi-2-naphthol5,5',6,6',7,7',8,8'-OCTAHYDRO-[1,1'-BINAPHTHALENE]-2,2'-DIOLMFCD02093485
Weitere Namen anzeigen
SF120061-5,5'JACS-65355-14-8(R)-(+)-2Octahydro-(R)-BINOL(R)-Octahydro-binaphthol(R)-5,5,6,6,7,7,8,8-OCTAHYDRO(1,1-BI-NAP(R)-5,5'-6,6'-7,7'-8,8'-OCTAHYDRO-BI-2-&
1-(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol(S)-5,5,6,6,7,7,8,8-Octahydro-1,1-bi-2-naphthol(R)-5,5',6,6',7,7',8,8'-OCTAHYDRO-1,1'-BI-2-NAPHTHOLA835082(R)-(+)-5,5 inverted exclamation marka,6,6 inverted exclamation marka,7,7 inverted exclamation marka,8,8 inverted exclamation marka-Octahydro-1,1 inverted exclamation marka-2-naphthol5,5',6,6',7,7',8,8'-Octahydro-1,1'-bi-2-naphthol, 97%5,6,7,8,5',6',7',8'-octahydro[1,1']binaphthalenyl-2,2'-diolOctahydrobinaphtol
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 5,6
- Polarare Oberfläche (TPSA)
- 40,5 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 22
- Formalladung
- 0
- Komplexität
- 346
Physikochemische Eigenschaften
- Schmelzpunkt
- 165 · 165-169 °C(lit.)
- Siedepunkt
- 516.7 · 516.7±50.0 °C(Predicted)
- Dichte
- 1.2 · 1.200
- Brechungsindex
- 50 ° · 50 ° (C=1, CHCl3)
- storage temp.
- Inert atmosphere,Room Temperature
- Löslichkeit
- almost transparency in Chloroform
- Aggregatzustand
- Powder
- pka
- 9.62 · 9.62±0.20(Predicted)
- Farbe
- off-white
- InChI
- 1S/C20H22O2/c21-17-11-9-13-5-1-3-7-15(13)19(17)20-16-8-4-2-6-14(16)10-12-18(20)22/h9-12,21-22H,1-8H2
- InChIKey
- UTXIFKBYNJRJPH-UHFFFAOYSA-N
- CAS Datenbank
- 65355 · 65355-14-8
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
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 42 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Sicherheitsdaten
- wgk
- 3
- ridadr
- UN 3077 9/PG 3
- hs_code
- 29072990
- risk_code
- 36-50/53-36/37/38
- hazard_code
- Xi,N
- safety_code
- 26-60-61-36
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
Chemie und Industrie
Anwendungen
Verwenden(R)-(+)-5,5′,6,6′,7,7′,8,8′-octahydro-1,1′-2-naphthol can be used:As a starting material for the preparation of octahydro-binaphthyl based organic light-emitting diodes.As a ligand in the 1,4-hydrophosphinylation of methyl cyclohexene-1-carboxylate using diphenylphosphine oxide, applicable in the synthesis of CyPHOX ligands.
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