3,6-Diacetyl-9-ethylcarbazole

HCID 622083CAS 1483-97-2

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Grundinformationen

Standard-SMILES: CCn1c2ccc(C(C)=O)cc2c2cc(C(C)=O)ccc21
InChIKey: RIRBXBVFZCKFNX-UHFFFAOYSA-N
Summenformel: C18H17NO2
Durchschnittliche Molmasse: 279,3 g/mol
Monoisotopische Masse: 279,12592879

Namen und Bezeichner

Bevorzugter Name: 3,6-Diacetyl-9-ethylcarbazole
IUPAC: 1-(6-acetyl-9-ethylcarbazol-3-yl)ethanone
Englischer Name: 3,6-Diacetyl-9-ethyl-9H-carbazole
Summenformel: C18H17NO2
Molmasse: 279.33

Namen und Synonyme

3,6-Diacetyl-9-ethylcarbazoleRefChem:487464622-518-11,1'-(9-ethyl-9H-carbazole-3,6-diyl)diethanone1483-97-21-(6-acetyl-9-ethylcarbazol-3-yl)ethanone1-(6-acetyl-9-ethyl-9H-carbazol-3-yl)ethan-1-oneMFCD00022217CBMicro_025282SCHEMBL153044Ethanone, 1,1'-(9-ethyl-9H-carbazole-3,6-diyl)bis-3,6-diacetyl-N-ethylcarbazole

Weitere Namen anzeigen

3,6-diacetyl-9-ethyl carbazole3,6-Diacetyl-9-ethyl-9H-carbazole

DTXSID603474881,1'-(9-ethyl-9H-carbazole-3,6-diyl)bis(ethan-1-one)SCHEMBL29540056BAA48397CCG-12447STK144648AKOS005405778SY474189

Datenbank-Bezeichner

CAS: 1483-97-2
PubChem CID: 622083
DTXSID: DTXSID60347488
EC Number: 622-518-1
Nikkaji: J182.443K

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3
Polarare Oberfläche (TPSA): 39,1 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 3
Schwere Atome: 21
Formalladung: 0
Komplexität: 395

Physikochemische Eigenschaften

Schmelzpunkt: 182 °C · 182 °C(Solv: acetic acid (64-19-7))
Siedepunkt: 417.2 · 417.2±38.0 °C(Predicted)
Dichte: 1.16 · 1.16±0.1 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
InChI: InChI=1S/C18H17NO2/c1-4-19-17-7-5-13(11(2)20)9-15(17)16-10-14(12(3)21)6-8-18(16)19/h5-10H,4H2,1-3H3
InChIKey: RIRBXBVFZCKFNX-UHFFFAOYSA-N
SMILES: N1(CC)C2=C(C=C(C(=O)C)C=C2)C2=C1C=CC(C(=O)C)=C2

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.；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.