Basic information
- CAS
72275-99-1- Standard SMILES
CC(C)CCCCCOC(=O)C1C(C(=O)OCCCCCC(C)C)C2(Cl)C(Cl)=C(Cl)C1(Cl)C2(Cl)Cl- InChIKey
PPPFEHOBEANLBD-UHFFFAOYSA-N- Molecular formula
- C25H36Cl6O4
- Average molar mass
- 613.3 g/mol
- Monoisotopic mass
- 610.074476
Names & identifiers
- Preferred name
- Bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid, 1,4,5,6,7,7-hexachloro-, 2,3-diisooctyl ester
- IUPAC
- bis(6-methylheptyl) 1,4,5,6,7,7-hexachlorobicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate
- English name
- diisooctyl 1,4,5,6,7,7-hexachlorobicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate
- Molecular formula
- C25H36Cl6O4
- Molecular weight
- 613.26894
Names & synonyms
72275-99-1EINECS 276-563-32,3-Dicarboisooctoxy-1,4,5,6,7,7-hexachlorobicyclo(2.2.1)hepteneBicyclo(2.2.1)hept-5-ene-2,3-dicarboxylic acid, 1,4,5,6,7,7-hexachloro-, diisooctyl esterBicyclo(2.2.1)hept-5-ene-2,3-dicarboxylic acid, 1,4,5,6,7,7-hexachloro-, 2,3-diisooctyl esterBicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid, 1,4,5,6,7,7-hexachloro-, diisooctyl esterBicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid, 1,4,5,6,7,7-hexachloro-, 2,3-diisooctyl esterRefChem:119673Diisooctyl 1,4,5,6,7,7-hexachlorobicyclo(2.2.1)hept-5-ene-2,3-dicarboxylateDTXSID50993039PPPFEHOBEANLBD-UHFFFAOYSA-NNS00124451
Show more names
diisooctyl 1,4,5,6,7,7-hexachlorobicyclo[2.2.1]hept-5-ene-2,3-dicarboxylatebis(6-methylheptyl) 1,2,3,4,7,7-hexachlorobicyclo[2.2.1]hept-2-ene-5,6-dicarboxylate1,4,5,6,7,7-Hexachlorobicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid bis(6-methylheptyl) ester
Bis(6-methylheptyl) 1,4,5,6,7,7-hexachlorobicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate
Database identifiers
- CAS
72275-99-1- PubChem CID
- 175018
- DTXSID
DTXSID50993039- EC Number
- 276-563-3
- Nikkaji
- J447.138E
Properties
Computed structural properties
- XLogP
- 9
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 16
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 737
Physicochemical properties
- EPA Substance Registry System
- 2.2 · Bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid, 1,4,5,6,7,7-hexachloro-, diisooctyl ester (72275-99-1)
- 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
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid, 1,4,5,6,7,7-hexachloro-, 2,3-diisooctyl ester: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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