Photoaldrin
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Basic information
- CAS
13350-71-5- Standard SMILES
ClC1C(Cl)C2(Cl)C3C4C=CC5C3C1(Cl)C2(Cl)C54Cl- InChIKey
WOLXXINQKHSWTP-UHFFFAOYSA-N- Molecular formula
- C12H8Cl6
- Average molar mass
- 364.9 g/mol
- Monoisotopic mass
- 361.875716
Names & identifiers
- Preferred name
- Photoaldrin
- IUPAC
- 1,2,3,10,11,12-hexachloropentacyclo[6.4.0.02,10.03,7.04,9]dodec-5-ene
- English name
- PHOTOALDRIN
- Molecular formula
- C12H8Cl6
- Molecular weight
- 364.91
Names & synonyms
PhotoaldrinAldrin isomer13350-71-5SD 183032,4,7-Metheno-1H-cyclopenta(a)pentalene, 1,1,2,3,3a,7a-hexachloro-2,3,3a,3b,4,6a,7,7a-octahydro-, (2alpha,3alpha,3aalpha,3balpha,4beta,6aalpha,7beta,7aalpha)-2,4,7-Metheno-1H-cyclopenta(a)pentalene, 1,1,2,3,3a,7a-hexachloro-2,3,3a,3b,4,6a,7,7a-octahydro-, (2R,3R,3aS,3bS,4S,6aR,7S,7aS)-rel-2,4,7-Metheno-1H-cyclopenta[a]pentalene, 1,1,2,3,3a,7a-hexachloro-2,3,3a,3b,4,6a,7,7a-octahydro-, (2R,3R,3aS,3bS,4S,6aR,7S,7aS)-rel-RefChem:371526WOLXXINQKHSWTP-UHFFFAOYSA-N1,2,3,3a,3b,7a-hexachloro-2,3,3a,3b,4,6a,7,7a-octahydro-1h-3,4,7-(methanetriyl)cyclopenta[a]pentaleneSCHEMBL30463061DTXSID20928156
Show more names
1,2,3,10,11,12-hexachloropentacyclo[6.4.0.02,10.03,7.04,9]dodec-5-ene
Database identifiers
- CAS
13350-71-5- PubChem CID
- 91571
- DTXSID
DTXSID20928156
Properties
Computed structural propertiesFilling in
- XLogP
- 3.8
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 493
Physicochemical properties
- Boiling point
- 409.2 · 409.2±40.0 °C(Predicted)
- Density
- 1.81 · 1.81±0.1 g/cm3(Predicted)
- EPA Substance Registry System
- 2 · 2,4,7-Metheno-1H-cyclopenta[a]pentalene, 1,1,2,3,3a,7a-hexachloro-2,3,3a,3b,4,6a,7,7a-octahydro-, (2R,3R,3aS,3bS,4S,6aR,7S,7aS)-rel- (13350-71-5)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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