CAS 1483-97-2 3,6-Diacetyl-9-ethylcarbazole (HCID 622083)

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Basic information

CAS: 1483-97-2
Standard SMILES: CCn1c2ccc(C(C)=O)cc2c2cc(C(C)=O)ccc21
InChIKey: RIRBXBVFZCKFNX-UHFFFAOYSA-N
Molecular formula: C18H17NO2
Average molar mass: 279.3 g/mol
Monoisotopic mass: 279.12592879

Names & identifiers

Preferred name: 3,6-Diacetyl-9-ethylcarbazole
IUPAC: 1-(6-acetyl-9-ethylcarbazol-3-yl)ethanone
English name: 3,6-Diacetyl-9-ethyl-9H-carbazole
Molecular formula: C18H17NO2
Molecular weight: 279.33

Names & synonyms

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

Show more names

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

Database identifiers

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

Properties

Computed structural properties

XLogP: 3
Topological polar surface area: 39.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 21
Formal charge: 0
Complexity: 395

Physicochemical properties

Melting point: 182 °C · 182 °C(Solv: acetic acid (64-19-7))
Boiling point: 417.2 · 417.2±38.0 °C(Predicted)
Density: 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
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302
Precautionary statements: 264 · P264-P270-P301+P312-P330-P501

Safety & regulation

GHS classification

GHS Classification · 5 items

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.