Trichloronat
fo-0ed25579592b13dd
Identity
- Type
- Neutral molecule
- CAS
- 327-98-0
- EC
- 206-326-1
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 55 across every transformer
Structure
Alternative labels
9- (±)-Trichloronate
- 5082A
- Bayer S 4400
- Fitosol
- O-Ethyl O-2,4,5-trichlorophenyl ethylphosphonothioate
- Phosphonothioic acid, ethyl-, O-ethyl O-(2,4,5-trichlorophenyl) ester
- Phytosol
- Richloronate
- Trichloronate
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | ANIAQSUBRGXWLS-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C10H12Cl3O2PS/c1-3-14-16(17,4-2)15-10-6-8(12)7(11)5-9(10)13/h5-6H,3-4H2,1-2H3 |
| IUPAC name chemrof:IUPAC_name | Phosphonothioic acid, ethyl-, O-ethyl O-(2,4,5-trichlorophenyl) ester |
| Molecular formula chemrof:molecular_formula | C10H12Cl3O2PS |
| Molecular mass chemrof:molecular_mass | 333.604 |
| Monoisotopic mass chemrof:monoisotopic_mass | 331.93612 |
| SMILES string chemrof:smiles_string | CCOP(=S)(CC)Oc1cc(Cl)c(Cl)cc1Cl |
Known URLs
14Where 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=327-98-0 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:82150 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.005.752 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID9038420 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1875361 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/55228MJ5QM | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J5.674J | enrich_references.pubchem_identifier_url |
| KEGG | https://www.genome.jp/entry/C19018 | enrich_references.chebi_xrefs |
| kegg.jp | https://www.kegg.jp/entry/C19018 | enrich_references.pubchem_identifier_url |
| ppdb | ppdb:658 | enrich_references.chebi_xrefs |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/9477 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/erg/#3018 | enrich_references.pubchem_identifier_url |
| Wikidata | https://www.wikidata.org/wiki/Q7840693 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/Trichloronate | enrich_references.pubchem_identifier_url |
Elementary flows
14| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| a616c27d-a893-416e-8ac5-772ae4170701 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| fee6ca24-7b33-45d7-a0cd-96be79a4505b | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| 5560e7f0-5e23-4005-b0b3-a74f1e3175f3 | Environmental → Air → Indoor | EF 3.1 | kg | 2 |
| bb2d188e-41d7-4a0c-86b6-6279afeee5b8 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| f9d774dc-cd00-4783-b33c-d9a159f5b292 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| 9130ca65-aad6-413b-bacb-e8a060810c5f | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| 557fe6d2-3941-4ada-a5f7-99e973aff2ee | Environmental → Ground → Agricultural | EF 3.1 | kg | 2 |
| 1b558a3e-d13f-4687-a236-274c07dccbe0 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 2 |
| e7308d0a46320bf118d8e43d91f36b1c55352a5f | Environmental → Ground → Silvicultural | ecoinvent algorithm addition | kg | 0 |
| 8d3bfb2c-75bd-4843-9901-ef4e1a309bb3 | Environmental → Ground → Unknown | EF 3.1 | kg | 2 |
| 37c2c4d2-49f6-4a61-9c5e-d549a575a725 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 1851bb96-da98-4610-a253-263afd3dc8a5 | Environmental → Water → Ocean | EF 3.1 | kg | 2 |
| 66e9cdc3-9fe8-4c69-8900-591a425e901c | Environmental → Water → Surface water | EF 3.1 | kg | 2 |
| 80b519af-a403-4fe4-8087-2594df47c59d | Environmental → Water → Unknown | EF 3.1 | kg | 2 |
History
Everything that changed this substance (55 changes)
Full record
Flow object JSON
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Something wrong here?
- This substance is published under the wrong name
- This is not that chemical
- This record is two substances, or it is a second copy of one
You do not need to run a build or clone anything. Name the record and say what your evidence is; the measurement is done for you. How contributing works