9H-Carbazol-4-ol

4-Hydroxycarbazole

HCID 104251CAS 52602-39-8

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

Standard-SMILES: Oc1cccc2[nH]c3ccccc3c12
InChIKey: UEOHATPGKDSULR-UHFFFAOYSA-N
Summenformel: C12H9NO
Durchschnittliche Molmasse: 183,21 g/mol
Monoisotopische Masse: 183,06841391

Namen und Bezeichner

Bevorzugter Name: 4-Hydroxycarbazole
IUPAC: 9H-carbazol-4-ol
Lokaler Name: 9H-Carbazol-4-ol
Englischer Name: 4-Hydroxy carbazole
Summenformel: C12H9NO
Molmasse: 183.21

Namen und Synonyme

4-Hydroxycarbazole9H-Carbazol-4-ol52602-39-83D95E7727VSKF-106023DTXSID60200584SKF 106023RefChem:99301DTXCID90123075258-034-94-Hydroxy carbazole4-hydroxycarbazol

Weitere Namen anzeigen

qiangjibianzuo9H-CARBAZOLE-4-OL9-H-CARBAZOL-4-OIp-HydroxycarBazole4-hidroxy carbazol4-Hydroxycarbazole>

MFCD021783854-CARBAZOLOL4-hydroxy-9h-carbazoleUNII-3D95E7727VCHEMBL46723BDBM50127697KS-1022Carvedilol 4-Hydroxy Carbazole Impurity

Datenbank-Bezeichner

CAS: 52602-39-8
PubChem CID: 104251
DTXSID: DTXSID60200584
ChEMBL: CHEMBL46723
UNII: 3D95E7727V
EC Number: 258-034-9
Nikkaji: J295.744B

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: 169 · 169-173 °C (lit.)
Siedepunkt: 431.4 · 431.4±18.0 °C(Predicted)
Dichte: 1.362 · 1.362±0.06 g/cm3(Predicted)
storage temp.: Inert atmosphere,Room Temperature
Löslichkeit: DMSO (Slightlty), Methanol (Slightly)
pka: 9.87 · 9.87±0.30(Predicted)
Aggregatzustand: Powder
Farbe: Tan to cacao
InChI: InChI=1S/C12H9NO/c14-11-7-3-6-10-12(11)8-4-1-2-5-9(8)13-10/h1-7,13-14H
InChIKey: UEOHATPGKDSULR-UHFFFAOYSA-N
SMILES: N1C2=C(C=CC=C2)C2=C1C=CC=C2O
CAS Datenbank: 52602 · 52602-39-8(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 48 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.