Carbazol-2-ol

2-Hydroxycarbazole

HCID 93551

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Grundinformationen

CAS: 86-79-3
Standard-SMILES: Oc1ccc2c(c1)[nH]c1ccccc12
InChIKey: GWPGDZPXOZATKL-UHFFFAOYSA-N
Summenformel: C12H9NO
Durchschnittliche Molmasse: 183,21 g/mol
Monoisotopische Masse: 183,06841391

Überblick

structure given in first source

Namen und Bezeichner

Bevorzugter Name: 2-Hydroxycarbazole
IUPAC: 9H-carbazol-2-ol
Lokaler Name: Carbazol-2-ol
Englischer Name: 2-Hydroxycarbazole
Summenformel: C12H9NO
Molmasse: 183.21

Namen und Synonyme

2-Hydroxycarbazole9H-Carbazol-2-ol86-79-3Carbazol-2-olSH4E4EQ2YZDTXSID50235340RefChem:87502DTXCID50157831201-699-72-Hydroxy-9H-carbazole2-CarbazololMFCD00004962

Weitere Namen anzeigen

AURORA KA-45952-Hydroxycarbazole 97%2-Hydroxycarbazole,97%2-MonohydroxycarbazoleQS794 2-HYDROXYCARBAZOLE

CCRIS 5301EINECS 201-699-7BRN 01358592-hydroxy-9H-carbazol2-Hydroxycarbazole, 97%Oprea1_146166SCHEMBL150279SCHEMBL4889238

Datenbank-Bezeichner

CAS: 86-79-3
PubChem CID: 93551
DTXSID: DTXSID50235340
ChEMBL: CHEMBL1170901
UNII: SH4E4EQ2YZ
EC Number: 201-699-7
Nikkaji: J192.640C

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,5
Polarare Oberfläche (TPSA): 36 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 0
Schwere Atome: 14
Formalladung: 0
Komplexität: 218

Physikochemische Eigenschaften

Schmelzpunkt: 270 · 270-273 °C (lit.)
Siedepunkt: 316.88 °C · 316.88°C (rough estimate)
Dichte: 1.1261 · 1.1261 (rough estimate)
Brechungsindex: 1.588 · 1.5880 (estimate)
storage temp.: 2 · 2-8°C, stored under nitrogen
Aggregatzustand: solid
pka: 10.05 · 10.05±0.30(Predicted)
Farbe: Grey
BRN: 135859 · 135859
InChI: 1S/C12H9NO/c14-8-5-6-10-9-3-1-2-4-11(9)13-12(10)7-8/h1-7,13-14H
InChIKey: GWPGDZPXOZATKL-UHFFFAOYSA-N
SMILES: Oc1ccc2c(c1)[nH]c3ccccc23
CAS Datenbank: 86 · 86-79-3(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 44 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: 2
hs_code: 2933998090
RTECS-Nr.: FE6355000
risk_code: 36/37/38-34
hazard_code: Xi,C,T,F
safety_code: 26-36-37/39-45-36/37/39-27
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen · 1 Eintrag

VerwendenCarbazol has been found possible to distinguish between heparin, heparin derivatives, and other polyuronides of connective tissue. A new modification of the carbazole analysis is useful for determination of d-mannuronic acid in heteropolysaccharides. 2-Hydroxycarbazole was used in the synthesis of isochromene fused carbazol, (4aS,13bR)-2,5,5-trimethyl-3,4,4a,5,8,13b-hexahydroisochromeno[3,4-b]carbazole.