β-Endosulfan
fo-37445e65f873944e
Identity
- Type
- Neutral molecule
- CAS
- 33213-65-9
- EC
- —
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 57 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
12- 5-Norbornene-2,3-dimethanol, 1,4,5,6,7,7-hexachloro-, cyclic sulfite, exo-
- 6,9-Methano-2,4,3-benzodioxathiepin, 6,7,8,9,10,10-hexachloro-1,5,5a,6,9,9a-hexahydro-, 3-oxide, (3α,5aα,6β,9β,9aα)-
- Endosulfan (beta)
- Endosulfan 2
- Endosulfan B
- Endosulfan II
- Endosulphan II
- General Weed Killer
- Thiodan II
- α-Thionex
- β-Benzoepin
- β-Thiodan
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | RDYMFSUJUZBWLH-LLXUDWAZSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C9H6Cl6O3S/c10-5-6(11)8(13)4-2-18-19(16)17-1-3(4)7(5,12)9(8,14)15/h3-4H,1-2H2, InChI=1S/C9H6Cl6O3S/c10-5-6(11)8(13)4-2-18-19(16)17-1-3(4)7(5,12)9(8,14)15/h3-4H,1-2H2/t3-,4+,7-,8+,19-, InChI=1S/C9H6Cl6O3S/c10-5-6(11)8(13)4-2-18-19(16)17-1-3(4)7(5,12)9(8,14)15/h3-4H,1-2H2/t3-,4+,7?,8?,19? |
| Isomeric SMILES string chemrof:isomeric_smiles_string | O=S1OC[C@@H]2[C@H](CO1)C1(Cl)C(Cl)=C(Cl)C2(Cl)C1(Cl)Cl |
| IUPAC name chemrof:IUPAC_name | (2R,8S)-1,9,10,11,12,12-hexachloro-4,6-dioxa-5lambda4-thiatricyclo[7.2.1.02,8]dodec-10-ene 5-oxide, (2R,8S)-1,9,10,11,12,12-hexakis(chloranyl)-4,6-dioxa-5lambda4-thiatricyclo[7.2.1.02,8]dodec-10-ene 5-oxide |
| Molecular formula chemrof:molecular_formula | C9H6Cl6O3S |
| Molecular mass chemrof:molecular_mass | 406.929 |
| Monoisotopic mass chemrof:monoisotopic_mass | 403.81688, 403.816881 |
| SMILES string chemrof:smiles_string | O=S1OCC2C(CO1)C1(Cl)C(Cl)=C(Cl)C2(Cl)C1(Cl)Cl |
Known URLs
4Where 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=33213-65-9 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:232154 | enrich_references.chebi_id_link |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/12309466 | enrich_references.pubchem_compound |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/33141080 | enrich_references.chebi_xrefs |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 2ecef8ce-b9b0-4376-bc80-255a66a698d9 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| ce8ad1d9-96fd-4cde-b8df-8dfb4812f43c | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| b6c07654-58cd-401f-9f30-57fb9b281402 | Environmental → Air → Indoor | EF 3.1 | kg | 2 |
| cc15382d-d593-4f71-8c75-088f19a20018 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| fee50762-02cc-45ce-b82b-f224b4d01321 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| 79f71a48-8890-47ec-9024-a4de116b5a1b | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| ad71449e-c5de-418f-ae7f-fafed2df6373 | Environmental → Ground → Agricultural | EF 3.1 | kg | 2 |
| 9923fefd-633b-4f34-a835-c126dfb76124 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 2 |
| 7c497923-b3bc-41f9-ac1d-f3e5367b6a9c | Environmental → Ground → Unknown | EF 3.1 | kg | 2 |
| 7cb2a1c8-8c53-4d8a-bb46-575e875952d3 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| a0daf3e9-f63a-4047-bcac-ce16d9e7947d | Environmental → Water → Ocean | EF 3.1 | kg | 2 |
| 5325b0b7-bb46-4ca9-99e9-0f06a5b2325c | Environmental → Water → Surface water | EF 3.1 | kg | 2 |
| 825669be-28c4-4a19-a3bf-05b361fc3fcd | Environmental → Water → Unknown | EF 3.1 | kg | 2 |
History
Everything that changed this substance (57 changes)
Full record
Flow object JSON
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