2,3,6,7-Tetrahydro-1H,5H-benzo[ij]chinolizin-8-ol

8-Hydroxyjulolidine

HCID 170474CAS 41175-50-2

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Grundinformationen

Standard-SMILES: Oc1ccc2c3c1CCCN3CCC2
InChIKey: FOFUWJNBAQJABO-UHFFFAOYSA-N
Summenformel: C12H15NO
Durchschnittliche Molmasse: 189,25 g/mol
Monoisotopische Masse: 189,1153641

Namen und Bezeichner

Bevorzugter Name: 8-Hydroxyjulolidine
IUPAC: 1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-6-ol
Lokaler Name: 2,3,6,7-Tetrahydro-1H,5H-benzo[ij]chinolizin-8-ol
Englischer Name: 8-Hydroxyjulolidine
Summenformel: C12H15NO
Molmasse: 189.25

Namen und Synonyme

8-Hydroxyjulolidine41175-50-21H,5H-Benzo[ij]quinolizin-8-ol, 2,3,6,7-tetrahydro-2,3,6,7-Tetrahydro-1H,5H-benzo[ij]quinolizin-8-olSDF5635X33EINECS 255-247-92,3,6,7-Tetrahydro-1H,5H-benzo(ij)quinolizin-8-ol1H,5H-Benzo(ij)quinolizin-8-ol, 2,3,6,7-tetrahydro-DTXSID0068286RefChem:548159DTXCID8039879255-247-9

Weitere Namen anzeigen

8-HJAKOS BBS-00000819TIMTEC-BB SBB0066158-HydroxyIulolidineHCl8-Hydroxyjulolidine>8-Hydroxyjulolidine,98%8-HYDROXYJULOLIDINE HYDROCHLORIDE2,3,6,7-TETRAHYDRO-1H,5H-BENZO[I,J]-QUIN

1,2,3,5,6,7-Hexahydropyrido[3,2,1-ij]quinolin-8-ol2,3,6,7-Tetrahydro-1H,5H-pyrido[3,2,1-ij]quinolin-8-olMFCD00006918SCHEMBL578221-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-6-ol8-hydroxy julolidineF9995-0032H0928

Datenbank-Bezeichner

CAS: 41175-50-2
PubChem CID: 170474
DTXSID: DTXSID0068286
UNII: SDF5635X33
EC Number: 255-247-9
Nikkaji: J236.729G

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,5
Polarare Oberfläche (TPSA): 23,5 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 0
Schwere Atome: 14
Formalladung: 0
Komplexität: 218

Physikochemische Eigenschaften

Schmelzpunkt: 132 · 132-134 °C(lit.)
Siedepunkt: 374.4 · 374.4±41.0 °C(Predicted)
Dichte: 1.22 · 1.22±0.1 g/cm3(Predicted)
storage temp.: room temp
Löslichkeit: Chloroform (Slightly), Methanol (Slightly)
pka: 11.25 · 11.25±0.20(Predicted)
Aggregatzustand: Solid
Farbe: White to Pink
Wasserlöslichkeit: Soluble in water (partly), ethanol, chloroform, methanol, and acetone.
BRN: 1530423 · 1530423
Major Application: diagnostic assay manufacturinghematologyhistology
InChI: InChI=1S/C12H15NO/c14-11-6-5-9-3-1-7-13-8-2-4-10(11)12(9)13/h5-6,14H,1-4,7-8H2
InChIKey: FOFUWJNBAQJABO-UHFFFAOYSA-N
SMILES: C12=CC=C(O)C3=C1N(CCC3)CCC2
CAS Datenbank: 41175 · 41175-50-2(CAS DataBase Reference)
EPA chemische Informationen: 1 H,5H-Benzo[ij]quinolizin-8-ol, · 1H,5H-Benzo[ij]quinolizin-8-ol, 2,3,6,7-tetrahydro- (41175-50-2)

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 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information1H,5H-Benzo[ij]quinolizin-8-ol, 2,3,6,7-tetrahydro-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

F: 10
wgk: 3
tsca: TSCA listed
hs_code: 2933 99 80
risk_code: 36/37/38
hazard_code: Xi
safety_code: 22-24/25-37/39-26-36
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing Information1H,5H-Benzo[ij]quinolizin-8-ol, 2,3,6,7-tetrahydro-: ACTIVE

Anwendungen

Verwenden8-Hydroxyjulolidine is used as an intermediate in the preparation of aminocoumarins via microwave-accelerated Pechmann reaction. It is also employed as a starting material for coumarin C-ribosides.