3a,4,7,7a-Tetrahydro-2-benzofuran-1,3-dione;2-benzofuran-1,3-dione;2,2-bis(bromomethyl)propane-1,3-diol;furan-2,5-dione
Basic information
- CAS
69961-72-4- Standard SMILES
O=C1C=CC(=O)O1.O=C1OC(=O)C2CC=CCC12.O=C1OC(=O)c2ccccc21.OCC(CO)(CBr)CBr- InChIKey
QUOYWKRIIOCJAQ-UHFFFAOYSA-N- Molecular formula
- C25H24Br2O11
- Average molar mass
- 660.3 g/mol
Names & identifiers
- Preferred name
- 3a,4,7,7a-Tetrahydro-2-benzofuran-1,3-dione;2-benzofuran-1,3-dione;2,2-bis(bromomethyl)propane-1,3-diol;furan-2,5-dione
- IUPAC
- 3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione;2-benzofuran-1,3-dione;2,2-bis(bromomethyl)propane-1,3-diol;furan-2,5-dione
- English name
- 1,3-Isobenzofurandione, polymer with 2,2-bis(bromomethyl)-1,3-propanediol, 2,5-furandione and 3a,4,7,7a-tetrahydro-1,3-isobenzofurandione
- Molecular formula
- C25H24Br2O11
- Molecular weight
- 660.25946
Names & synonyms
1,3-Isobenzofurandione, polymer with 2,2-bis(bromomethyl)-1,3-propanediol, 2,5-furandione and 3a,4,7,7a-tetrahydro-1,3-isobenzofurandione
Database identifiers
- CAS
69961-72-4
Properties
Computed structural properties
- Topological polar surface area
- 171 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 4
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 601
Physicochemical properties
- EPA Substance Registry System
- 1 · 1,3-Isobenzofurandione, polymer with 2,2-bis(bromomethyl)-1,3-propanediol, 2,5-furandione and 3a,4,7,7a-tetrahydro-1,3-isobenzofurandione (69961-72-4)
- 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.
Safety data
- tsca
- TSCA listed
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Related reactions
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Compound notes
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