4,7-Methano-1H-isoindole-1,3(2H)-dione, 2,2'-(1,2-ethanediyl)bis(5,6-dibromohexahydro-
Basic information
- CAS
52907-07-0- Standard SMILES
O=C1C2C3CC(C(Br)C3Br)C2C(=O)N1CCN1C(=O)C2C3CC(C(Br)C3Br)C2C1=O- InChIKey
WOFYQUJNULCFLN-UHFFFAOYSA-N- Molecular formula
- C20H20Br4N2O4
- Average molar mass
- 672 g/mol
- Monoisotopic mass
- 667.81566
Names & identifiers
- Preferred name
- 4,7-Methano-1H-isoindole-1,3(2H)-dione, 2,2'-(1,2-ethanediyl)bis(5,6-dibromohexahydro-
- IUPAC
- 8,9-dibromo-4-[2-(8,9-dibromo-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)ethyl]-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
- English name
- N,N'-(ethylene)bis[4,5-dibromohexahydro-3,6-methanophthalimide]
- Molecular formula
- C20H20Br4N2O4
- Molecular weight
- 672
Names & synonyms
4,7-Methano-1H-isoindole-1,3(2H)-dione, 2,2'-(1,2-ethanediyl)bis(5,6-dibromohexahydro-4,7-Methano-1H-isoindole-1,3(2H)-dione, 2,2'-(1,2-ethanediyl)bis[5,6-dibromohexahydro-RefChem:50833052907-07-0N,N'-(Ethylene)bis[4,5-dibromohexahydro-3,6-methanophthalimide]4,4'-ethane-1,2-diylbis(8,9-dibromo-4-azatricyclo[5.2.1.02,6]decane-3,5-dione)41291-34-38,9-dibromo-4-[2-(8,9-dibromo-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)ethyl]-4-azatricyclo[5.2.1.02,6]decane-3,5-dioneETHYLENEBIS(5,6-DIBROMONORBORNANE-2,3-DICARBOXIMIDESaytex BN 451Citex BN 451N,N'-(Ethylene)bis(4,5-dibromohexahydro-3,6-methanophthalimide)
Show more names
N,N''-ETHYLENE-BIS-(5,6-DIBROMONORBORNANE-2,3-DICARBOXIMIDE
BN 451EINECS 258-250-3Ethylenebis(5,6-dibromonorbornane-2,3-dicarboximide)SCHEMBL3842632DTXSID6052168WOFYQUJNULCFLN-UHFFFAOYSA-NSBB085186AKOS005765878
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 74.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 751
Physicochemical properties
- Boiling point
- 748.2 · 748.2±60.0 °C(Predicted)
- Density
- 2.112 · 2.112±0.06 g/cm3(Predicted)
- pka
- -2.78 · -2.78±0.60(Predicted)
- Henry's Law Constant
- 2.5 · 2.5×1015 mol/(m3Pa) at 25℃, Zhang et al. (2010)
- EPA Substance Registry System
- 4 · 4,7-Methano-1H-isoindole-1,3(2H)-dione, 2,2'-(1,2-ethanediyl)bis[5,6-dibromohexahydro- (52907-07-0)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationChemical: 4,7-Methano-1H-isoindole-1,3(2H)-dione, 2,2'-(1,2-ethanediyl)bis[5,6-dibromohexahydro-
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information4,7-Methano-1H-isoindole-1,3(2H)-dione, 2,2'-(1,2-ethanediyl)bis[5,6-dibromohexahydro-: ACTIVE
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Compound notes
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