Consensus flow list

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

Structure diagram for Trichloronat

Alternative labels

9

Properties

PropertyValue
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

14

Where 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.org 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)

Open the changes page

Full record

Flow object JSON
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