5,6-Dibromohexahydroisobenzofuran-1,3-dione
Basic information
- CAS
23893-84-7- Standard SMILES
O=C1OC(=O)C2CC(Br)C(Br)CC12- InChIKey
MTFOVFKEUAKPNY-UHFFFAOYSA-N- Molecular formula
- C8H8Br2O3
- Average molar mass
- 311.95 g/mol
- Monoisotopic mass
- 309.88402
Names & identifiers
- Preferred name
- 5,6-Dibromohexahydroisobenzofuran-1,3-dione
- IUPAC
- 5,6-dibromo-3a,4,5,6,7,7a-hexahydro-2-benzofuran-1,3-dione
- English name
- 4,5-dibromohexahydrophthalic anhydride
- Molecular formula
- C8H8Br2O3
- Molecular weight
- 311.96
Names & synonyms
23893-84-75,6-Dibromohexahydroisobenzofuran-1,3-dione5,6-dibromohexahydro-2-benzofuran-1,3-dione4,5-Dibromohexahydrophthalic anhydrideMFCD084453555,6-dibromo-3a,4,5,6,7,7a-hexahydro-2-benzofuran-1,3-dione1,3-Isobenzofurandione, 5,6-dibromohexahydro-5,6-dibromo-octahydro-2-benzofuran-1,3-dione5,6-dibromo-3a,4,5,6,7,7a-hexahydroisobenzofuran-1,3-dioneEINECS 245-931-5NSC1466024,5-Dibromo-1,2-cyclohexanedicarboxylic anhydride
Show more names
5,6-Dibromohexahydroisobenzofuran-1,3-dione - [D70567]
4,5-Dibromocyclohexane-1,2-dicarboxylic anhydrideSCHEMBL10929898DTXSID60946692MTFOVFKEUAKPNY-UHFFFAOYSA-NALBB-010634NSC167961SBB014386STK689842
Database identifiers
- CAS
23893-84-7- PubChem CID
- 91004
- DTXSID
DTXSID60946692- EC Number
- 245-931-5
- Nikkaji
- J180.726I
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 240
Physicochemical properties
- storage temp.
- Store at room temperature
- Appearance
- White to off-white Solid
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hazard_class
- IRRITANT
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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