Basic information
- CAS
3212-26-8- Standard SMILES
ClC1=C(Cl)C2(Cl)C3C4OC(C5OC54)C3C1(Cl)C2(Cl)Cl- InChIKey
QIOAVVHEKQUAKW-UHFFFAOYSA-N- Molecular formula
- C11H6Cl6O2
- Average molar mass
- 382.9 g/mol
- Monoisotopic mass
- 379.849896
Names & identifiers
- Preferred name
- 3,4,5,6,9,9-Hexachloro-1a,2,2a,3,6,6a,7,7a-octahydro-2,7-epoxy-3,6-methanonaphtho(2,3-b)oxirene
- IUPAC
- 3,4,5,6,13,13-hexachloro-10,12-dioxapentacyclo[6.3.1.13,6.02,7.09,11]tridec-4-ene
- English name
- 3,4,5,6,9,9-Hexachloro-1a,2,2a,3,6,6a,7,7a-octahydro-2,7-epoxy-3,6-methanonaphth[2,3-b]oxirene
- Molecular formula
- C11H6Cl6O2
- Molecular weight
- 382.88
Names & synonyms
DTXSID309539993,4,5,6,9,9-Hexachloro-1a,2,2a,3,6,6a,7,7a-octahydro-2,7-epoxy-3,6-methanonaphtho(2,3-b)oxirene3,4,5,6,9,9-Hexachloro-1a,2,2a,3,6,6a,7,7a-octahydro-2,7-epoxy-3,6-methanonaphtho[2,3-b]oxireneRefChem:1065664DTXCID501382034Shell 52-RL-7152RL713212-26-8Shell 52RL71NSC 59106BRN 0037565AI3-22377
Show more names
52-RL-712,7-Epoxy-3,4,5,6,9,9-hexachloro-1a,2,2a,3,6,6a,7,7a-octahydro-3,6-methanonaphth[2,3-b]oxirene2,7-Epoxy-3,6-methanonaphth[2,3-b]oxirene, 3,4,5,6,9,9-hexachloro-1a,2,2a,3,6,6a,7,7a-octahydro- (9CI)
1,4,2,3-Diepoxy-5,8-methanonaphthalene, 5,6,7,8,9,9-hexachloro-1,2,3,4,4a,5,8,8a-octahydro-2,7-Epoxy-3,6-methanonaphth(2,3-b)oxirene, 3,4,5,6,9,9-hexahydro-1a,2,2a,6,6a,7,7a-octahydro-4-19-00-00285 (Beilstein Handbook Reference)NSC59106NSC-591063,4,5,6,9,9-Hexachloro-1a,2,2a,3,6,6a,7,7a-octahydro-2,7-epoxy-3,6-methanonaphth[2,3-b]oxirene5,8-Methanonaphthalene, 1,4,2,3-diepoxy-5,6,7,8,9,9-hexachloro-1,2,3,4,4a,5,8,8a-octahydro-WLN: T E3 D5 C555 A D- D-O FO KUTJ AG AG BG JG KG LG
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 21.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 519
Physicochemical properties
- Toxicity
- 50 oral · LD50 oral in rat: 142mg/kg
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
- Toxicity
- LD50 oral in rat: 142mg/kg
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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