Photomirex
Basic information
- CAS
39801-14-4- Standard SMILES
ClC1(Cl)C2(Cl)C3C4(Cl)C1(Cl)C1(Cl)C4(Cl)C(Cl)(Cl)C3(Cl)C21Cl- InChIKey
KFDNXHKRTQRVGV-UHFFFAOYSA-N- Molecular formula
- C10HCl11
- Average molar mass
- 511.1 g/mol
- Monoisotopic mass
- 505.665205
Overview
major photodecomposition product of mirex (dodecachloro)
Names & identifiers
- Preferred name
- Photomirex
- IUPAC
- 1,2,3,4,5,5,6,7,9,10,10-undecachloropentacyclo[5.3.0.02,6.03,9.04,8]decane
- English name
- photomirex
- Molecular formula
- C10HCl11
- Molecular weight
- 511.07
Names & synonyms
Photomirex39801-14-48-monohydromirexG7C95QE27QDTXSID20208961,3,4-Metheno-1H-cyclobuta(cd)pentalene, 1,1a,2,2,3,3a,4,5,5,5a,5b-undecachlorooctahydro-1,3,4-Metheno-1H-cyclobuta[cd]pentalene, 1,1a,2,2,3,3a,4,5,5,5a,5b-undecachlorooctahydro-RefChem:173955DTXCID408961,2,3,4,5,5,6,7,9,10,10-Undecachloropentacyclo(5.3.0.0.0.0)decaneHydromirexMirex, photo-
Show more names
Photomirex (>85%)1,1a,2,2,3,3a,4,5,5,5a,5b-Undecachlorooctahydro-1,1a,2,2,3,3a,4,5,5,5a,5b-Undecachlorooctahydro-1,3,4-metheno-1H-cyclobuta[cd]pentalene
8-Monohydro mirex1,2,3,4,5,5,6,7,9,10,10- Undecachloropentacyclo(5.3.0.0.0.0)decane1,2,3,4,5,5,6,7,9,10,10-undecachloropentacyclo[5.3.0.02,6.03,9.04,8]decane1,2,3,4,5,5,6,7,9,10,10-Undecachloropentacyclo(5.3.0.0(sup 2,6).0(sup 3,9).0(sup 4,8))decane8-Hydromirex1,3,4-Metheno-1H-cyclobuta(cd)pentalene, 1,1a,2,2,3,3a,4,5,5,5a,5-undecachlorooctahydro-Photomirex (~90%)1,1a,2,2,3,3a,4,5,5,5a,5b-undecachlorooctahydro-1H-1,3,4-(methanetriyl)cyclobuta[cd]pentalene
Database identifiers
- CAS
39801-14-4
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 628
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Boiling point
- 575.76 °C · 575.76°C (rough estimate)
- Density
- 1.8747 · 1.8747 (rough estimate)
- refractive index
- 1.6 · 1.6000 (estimate)
- solubility
- Chloroform (Slightly)
- form
- Solid
- color
- White to Off-White
- Stability
- Light Sensitive
- CAS DataBase Reference
- 39801 · 39801-14-4
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 7 C95QE27Q · G7C95QE27Q
- EPA Substance Registry System
- Photomirex (39801-14-4)
- RIDADR
- 2761 · 2761
- HazardClass
- 6.1 · 6.1(b)
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
- ridadr
- 2761
- Toxicity
- rat,LD50,oral,200mg/kg (200mg/kg),LIVER: OTHER CHANGESBLOOD: HEMORRHAGEKIDNEY, URETER, AND BLADDER: OTHER CHANGES,Journal of Agricultural and Food Chemistry. Vol. 26, Pg. 388, 1978.
- hazard_class
- 6.1(b)
- packing_group
- III
Chemistry & industry
Applications
UsesA toxic metabolite of Mirex. A photodegradaton product of the insecticide Mirex, is an environmental contaminant that has been identified in Great Lakes fish, soil, and human adipose tissue.
UsesA toxic metabolite of Mirex (M364970). A photodegradaton product of the insecticide Mirex, is an environmental contaminant that has been identified in Great Lakes fish, soil, and human adipose tissue.
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Compound notes
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