Bicyclo(2.2.2)octane-2,5-dione

HCID 13570060

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Grundinformationen

CAS: 57346-05-1
Standard-SMILES: O=C1CC2CCC1CC2=O
InChIKey: WMJKUNDVKHUCMV-UHFFFAOYSA-N
Summenformel: C8H10O2
Durchschnittliche Molmasse: 138,16 g/mol
Monoisotopische Masse: 138,06807956

Namen und Bezeichner

Bevorzugter Name: Bicyclo(2.2.2)octane-2,5-dione
IUPAC: bicyclo[2.2.2]octane-2,5-dione
Englischer Name: Bicyclo[2.2.2]octane-2,5-dione
Summenformel: C8H10O2
Molmasse: 138.16

Namen und Synonyme

BICYCLO[2.2.2]OCTANE-2,5-DIONE57346-05-1DTXSID30544063bicyclo(2.2.2)octane-2,5-dioneRefChem:568182DTXCID40494848637-348-3MFCD24504367SCHEMBL1710519WMJKUNDVKHUCMV-UHFFFAOYSA-WMJKUNDVKHUCMV-UHFFFAOYSA-NBicylco[2.2.2]octane-2,5-dione

Weitere Namen anzeigen

AKOS028109868BS-17143DA-35033SY237729DB-065205CS-0160254D83633EN300-1440229

Datenbank-Bezeichner

CAS: 57346-05-1
PubChem CID: 13570060
DTXSID: DTXSID30544063
EC Number: 637-348-3
Nikkaji: J1.580.582J

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -0,1
Polarare Oberfläche (TPSA): 34,1 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 0
Schwere Atome: 10
Formalladung: 0
Komplexität: 173

Physikochemische Eigenschaften

Schmelzpunkt: 203 · 203-205 °C
Siedepunkt: 268.3 · 268.3±33.0 °C(Predicted)
Dichte: 1.191 · 1.191±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
Aggregatzustand: solid
InChI: 1S/C8H10O2/c9-7-4-6-2-1-5(7)3-8(6)10/h5-6H,1-4H2/t5-,6-/m1/s1
InChIKey: WMJKUNDVKHUCMV-PHDIDXHHSA-N
SMILES: O=C1C[C@H]2CC[C@@H]1CC2=O

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, 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. 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.