(1α,4α,4aβ,5β,8β8aβ)-1,2,3,4,10,10-hexachloro-1,4,4a,5,8,8a-hexahydro-1,4:5,8-dimethanonaphthalene
fo-939109ec9a05ec51
Identity
- Type
- NeutralMolecule
- CAS
- 465-73-6
- EC
- 207-366-2
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 56 across every transformer
Structure
This substance carries 2 candidate structures; the diagram is the first one RDKit could parse, not a settled answer.
Alternative labels
7- 1,2,3,4,10,10-Hexachloro-1,4,4a,5,8,8a-hexahydro-1,4-endo,endo-5,8-dimethanonaphthalene
- 1,4:5,8-Dimethanonaphthalene, 1,2,3,4,10,10-hexachloro-1,4,4a,5,8,8a-hexahydro-, (1R,4S,4aS,5R,8S,8aR)-rel-
- 1,4:5,8-Dimethanonaphthalene, 1,2,3,4,10,10-hexachloro-1,4,4a,5,8,8a-hexahydro-, (1α,4α,4aβ,5β,8β,8aβ)-
- 1,4:5,8-Dimethanonaphthalene, 1,2,3,4,10,10-hexachloro-1,4,4a,5,8,8a-hexahydro-, endo,endo-
- Isodrin
- Isodrin (insecticide)
- rel-(1R,4S,4aS,5R,8S,8aR)-1,2,3,4,10,10-Hexachloro-1,4,4a,5,8,8a-hexahydro-1,4:5,8-dimethanonaphthalene
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | QBYJBZPUGVGKQQ-DIFDVCDBSA-N, QBYJBZPUGVGKQQ-KCHUEWMZSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C12H8Cl6/c13-8-9(14)11(16)7-5-2-1-4(3-5)6(7)10(8,15)12(11,17)18/h1-2,4-7H,3H2/t4-,5+,6-,7+,10-,11+ |
| Isomeric SMILES string chemrof:isomeric_smiles_string | ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@H]([C@H]4C=C[C@@H]3C4)[C@@]1(Cl)C2(Cl)Cl |
| IUPAC name chemrof:IUPAC_name | 1,4:5,8-Dimethanonaphthalene, 1,2,3,4,10,10-hexachloro-1,4,4a,5,8,8a-hexahydro-, (1R,4S,4aS,5R,8S,8aR)-rel- |
| Molecular formula chemrof:molecular_formula | C12H8Cl6 |
| Molecular mass chemrof:molecular_mass | 364.914 |
| Monoisotopic mass chemrof:monoisotopic_mass | 361.875716, 361.87572 |
| SMILES string chemrof:smiles_string | ClC1=C(Cl)C2(Cl)C3C4C=CC(C4)C3C1(Cl)C2(Cl)Cl |
Known URLs
3Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.
| Resource | URL | Recorded by |
|---|---|---|
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=465-73-6 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:82100 | enrich_references.chebi_id_link |
| KEGG | https://www.genome.jp/entry/C18961 | enrich_references.chebi_xrefs |
Elementary flows
14| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 1fdbf6e0-beac-4597-b9b2-528de1ea38f4 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| eb2e8a8a-9506-49ca-a571-8bd1df48498d | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| fe66587c-4ca7-443b-9c11-b3c3b49b445d | Environmental → Air → Indoor | EF 3.1 | kg | 2 |
| 57f15aa8-2223-4454-863e-4bc12851b63b | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 64029edc-a495-4e6f-8cc3-8b5e1fa92713 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| 4b5662b1-f468-492e-99e0-94b0ccf370b5 | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| 72ff6177-9822-4e16-a38c-8e388e4ee582 | Environmental → Ground → Agricultural | EF 3.1 | kg | 2 |
| 64cc40ca-a768-40d3-9406-9a99a8583301 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 2 |
| 945971eb65966d63d353776371caf3bb44516a51 | Environmental → Ground → Silvicultural | ecoinvent algorithm addition | kg | 0 |
| 65d574d6-b298-448c-8c37-7c277c0177e3 | Environmental → Ground → Unknown | EF 3.1 | kg | 2 |
| aecc9d65-24ea-4733-b60e-32cd202868eb | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 7e673fb0-278b-4c23-86ea-443257aaf8f4 | Environmental → Water → Ocean | EF 3.1 | kg | 2 |
| 3f965e6f-2cd0-418b-a8dc-0df43d7a01f3 | Environmental → Water → Surface water | EF 3.1 | kg | 2 |
| 892fe18b-ec06-4fc8-a40c-6eab7b0d1038 | Environmental → Water → Unknown | EF 3.1 | kg | 2 |
History
Everything that changed this substance (56 changes)
Full record
Flow object JSON
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