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Basic Information
CAS No.: 843-59-4
Name: DIETHYL 2,5-DIOXOBICYCLO[2.2.2]OCTANE-1,4-DICARBOXYLATE
Article Data: 15
Molecular Structure:
Molecular Structure of 843-59-4 (DIETHYL 2,5-DIOXOBICYCLO[2.2.2]OCTANE-1,4-DICARBOXYLATE)
Formula: C14H18 O6
Molecular Weight: 282.293
Synonyms: Bicyclo[2.2.2]octane-1,4-dicarboxylicacid, 2,5-dioxo-, diethyl ester (7CI,8CI,9CI); NSC 176184
Density: 1.321g/cm3
Melting Point: 111 °C
Boiling Point: 393.048°C at 760 mmHg
Flash Point: 173.462°C
Hazard Symbols:
Risk Codes:  Xi:;
">  Xi:;
Safety:
Hazard Codes Xi
Hazard Note Irritant
PSA: 86.74000
LogP: 0.81120
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Chemistry

Molecular Structure of Diethyl 2,5-dioxobicyclo[2.2.2]octane-1,4-dicarboxylate (CAS NO.843-59-4):

IUPAC Name: Diethyl 2,5-dioxobicyclo[2.2.2]octane-1,4-dicarboxylate
Canonical SMILES: CCOC(=O)C12CCC(CC1=O)(C(=O)C2)C(=O)OCC
InChI: InChI=1S/C14H18O6/c1-3-19-11(17)13-5-6-14(8-9(13)15,10(16)7-13)12(18)20-4-2/h3-8H2,1-2H3
InChIKey: ZRMZQKZRZQCGJV-UHFFFAOYSA-N
Molecular Weight: 282.28912 [g/mol]
Molecular Formula: C14H18O6
XLogP3-AA: 0.5
H-Bond Donor: 0
H-Bond Acceptor: 6 
Index of Refraction: 1.532
Molar Refractivity: 66.176 cm3
Molar Volume: 213.701 cm3
Surface Tension: 56.429 dyne/cm
Density: 1.321 g/cm3
Flash Point: 173.462 °C
Enthalpy of Vaporization: 64.288 kJ/mol
Boiling Point: 393.048 °C at 760 mmHg
Vapour Pressure: 0 mmHg at 25 °C
Melting Point: 111 °C
Product Categories: chiral

Safety Profile

Safety Information of Diethyl 2,5-dioxobicyclo[2.2.2]octane-1,4-dicarboxylate (CAS NO.843-59-4):
Hazard Codes: IrritantXi
Hazard Note: Irritant

Specification

  Diethyl 2,5-dioxobicyclo[2.2.2]octane-1,4-dicarboxylate (CAS NO.843-59-4), its Synonyms are Bicyclo[2.2.2]octane-1,4-dicarboxylicacid, 2,5-dioxo-, 1,4-diethyl ester ; Bicyclo[2.2.2]octane-1,4-dicarboxylicacid, 2,5-dioxo-, diethyl ester (7CI,8CI,9CI) .