(1α,2α,3aα,4β,7β,7aα)-1,2,4,5,6,7,8,8-octachloro-2,3,3a,4,7,7a-hexahydro-4,7-methano-1H-indene
fo-6657f576b7053470
Identity
- Type
- NeutralMolecule
- CAS
- 5103-71-9
- EC
- 225-825-5
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 60 across every transformer
Structure
This substance carries 2 candidate structures; the diagram is the first one RDKit could parse, not a settled answer.
What it is used for
4
Roles, not types. A substance bears as many as apply — sulfluramid is an
insecticide and an acaricide — and each is a class ChEBI curates, asserted
with ChEBI’s own has role. The narrow ones publish the broad
ones alongside them, so a substance filed as a herbicide is a pesticide
here too. See agricultural
chemicals for what the axis is and which classes are published.
| Role | Definition | Evidence |
|---|---|---|
| environmental contaminant CHEBI:78298 | Any minor or unwanted substance introduced into the environment that can have undesired effects. | ChEBI |
| insecticide CHEBI:24852 | Strictly, a substance intended to kill members of the class Insecta. In common usage, any substance used for preventing, destroying, repelling or controlling insects. | ChEBI |
| persistent organic pollutant CHEBI:77853 | Any environmental contaminant that is resistant to environmental degradation through photolytic, biological or chemical processes. Such substances can have significant impact on health and the environment, as they persist in the environment, bioaccumulate in animal tissue and so biomagnify in food chains. | ChEBI |
| pesticide CHEBI:25944 | Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests. | ChEBI |
Alternative labels
16- (1alpha,2alpha,3aalpha,4beta,7beta,7aalpha)-1,2,4,5,6,7,8,8-octachloro-2,3,3a,4,7,7a-hexahydro-4,7-methano-1H-indene
- (1R,2R,3S,4R,6R,7S)-1,3,4,7,8,9,10,10-octachlorotricyclo[5.2.1.0(2,6)]dec-8-ene
- (1S,2S,3aS,4S,7R,7aR)-1,2,4,5,6,7,8,8-octachloro-2,3,3a,4,7,7a-hexahydro-1H-4,7-methanoindene
- (±)-cis-Chlordane
- 4,7-Methano-1H-indene, 1,2,4,5,6,7,8,8-octachloro-2,3,3a,4,7,7a-hexahydro-, (1R,2S,3aS,4S,7R,7aS)-rel-
- 4,7-Methano-1H-indene, 1,2,4,5,6,7,8,8-octachloro-2,3,3a,4,7,7a-hexahydro-, (1α,2α,3aα,4β,7β,7aα)-
- 4,7-Methanoindan, 1α,2α,4β,5,6,7β,8,8-octachloro-3aα,4,7,7aα-tetrahydro-
- alpha-Chlordane
- Chlordan, cis-
- cis-1,2,4,5,6,7,8,8-Octachloro-3a,4,7,7a-tetrahydro-4,7-endo-methanoindan
- cis-Chlordan
- cis-Chlordane
- cis-α-Chlordane
- rel-(1R,2S,3aS,4S,7R,7aS)-1,2,4,5,6,7,8,8-Octachloro-2,3,3a,4,7,7a-hexahydro-4,7-methano-1H-indene
- α-Chlordan
- α-Chlordane
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | BIWJNBZANLAXMG-IDTQJTQFSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C10H6Cl8/c11-3-1-2-4(5(3)12)9(16)7(14)6(13)8(2,15)10(9,17)18/h2-5H,1H2, InChI=1S/C10H6Cl8/c11-3-1-2-4(5(3)12)9(16)7(14)6(13)8(2,15)10(9,17)18/h2-5H,1H2/t2-,3-,4-,5-,8+,9-/m1/s1 |
| Isomeric SMILES string chemrof:isomeric_smiles_string | ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@H](Cl)[C@H](Cl)C[C@H]3[C@@]1(Cl)C2(Cl)Cl |
| IUPAC name chemrof:IUPAC_name | (1R,2R,3S,4R,6R,7S)-1,3,4,7,8,9,10,10-octachlorotricyclo[5.2.1.02,6]dec-8-ene, (1R,2R,3S,4R,6R,7S)-1,3,4,7,8,9,10,10-octakis(chloranyl)tricyclo[5.2.1.02,6]dec-8-ene |
| Molecular formula chemrof:molecular_formula | C10H6Cl8 |
| Molecular mass chemrof:molecular_mass | 409.782 |
| Monoisotopic mass chemrof:monoisotopic_mass | 405.79777, 405.797772 |
| SMILES string chemrof:smiles_string | ClC1=C(Cl)C2(Cl)C3C(Cl)C(Cl)CC3C1(Cl)C2(Cl)Cl |
Known URLs
7Where 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 |
|---|---|---|
| beilstein | beilstein:2221008 | enrich_references.chebi_xrefs |
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=5103-71-9 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:39068 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.023.477 | enrich_references.pubchem_identifier_url |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=56149 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/12303035 | enrich_references.pubchem_compound |
| wikidata.org | https://www.wikidata.org/wiki/Q27118119 | enrich_references.pubchem_identifier_url |
Elementary flows
14| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| aadf1ef8-39fe-4625-ab32-9f3cc06a486f | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| 81a5a62e-e16d-4bf6-8825-9a5d49fb2e28 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| 9b17f342-e768-4709-8bd3-5b8bf88039ac | Environmental → Air → Indoor | EF 3.1 | kg | 2 |
| 280ffc79-a4ed-4f4e-95db-a1fae76e87d1 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| b215b89f-29e2-429d-827d-09e488fe3704 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| 8ef9b835-7735-46ef-868d-0d6f82d2993b | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| 504c8db0-ed11-42f7-a251-3028d2da2d1a | Environmental → Ground → Agricultural | EF 3.1 | kg | 2 |
| b43617f7-3fc9-4e12-b5f7-84ca7171cc7c | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 2 |
| 05ef6d1dc5397a157fcbd84119823fa1d6a75569 | Environmental → Ground → Silvicultural | ecoinvent algorithm addition | kg | 0 |
| 0a48bf15-666f-4ebb-8ffd-30b3b696871d | Environmental → Ground → Unknown | EF 3.1 | kg | 2 |
| c7b79894-4d7f-4fde-bc40-66593db80f72 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 3ff4d81a-0816-4b9e-ae7f-cb331e4e06e9 | Environmental → Water → Ocean | EF 3.1 | kg | 2 |
| 131bcaf6-9424-4746-b26e-32d572e0bf99 | Environmental → Water → Surface water | EF 3.1 | kg | 2 |
| 500a2423-2306-431d-b1c8-8abc1c1e7759 | Environmental → Water → Unknown | EF 3.1 | kg | 2 |
History
Everything that changed this substance (60 changes)
Full record
Flow object JSON
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