Consensus flow list

Identity

Type
Neutral molecule
CAS
13674-87-8
EC
237-159-2
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for Tris[2-chloro-1-(chloromethyl)ethyl] Phosphate

Alternative labels

16

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string ASLWPAWFJZFCKF-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C9H15Cl6O4P/c10-1-7(2-11)17-20(16,18-8(3-12)4-13)19-9(5-14)6-15/h7-9H,1-6H2
IUPAC name chemrof:IUPAC_name Tris[2-chloro-1-(chloromethyl)ethyl] Phosphate
Molecular formula chemrof:molecular_formula C9H15Cl6O4P
Molecular mass chemrof:molecular_mass 430.907
Monoisotopic mass chemrof:monoisotopic_mass 427.883912
SMILES string chemrof:smiles_string O=P(OC(CCl)CCl)(OC(CCl)CCl)OC(CCl)CCl

Known URLs

11

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=13674-87-8 enrich_references.consensus_cas_link
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:143729 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.033.767 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID9026261 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3182032 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/B1PRV4G0T0 enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0244565 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J640H enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/26177 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q2454085 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Tris(1,3-dichloro-2-propyl)phosphate enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
2c6a56e9-97a4-4437-979e-268b8a3efc00 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
281dd385-30a3-4560-80e3-3d217ee97fa9 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
a971c662-dfb6-4b7a-adab-8eeb460e37bb Environmental → Air → Indoor EF 3.1 kg 4
811421a8-afe7-4010-b5c7-8f7f5c6849c8 Environmental → Air → Long-term EF 3.1 kg 0
25ae3b13-baa3-437b-abb0-b201cf3e66ed Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
422950e3-11a1-4b52-b23e-27f78c33dcc4 Environmental → Air → Unknown EF 3.1 kg 4
a5c6e645-b212-46e2-a428-a855658142a8 Environmental → Ground → Agricultural EF 3.1 kg 4
33279fdb-e488-4e36-a87b-65299cacfbb6 Environmental → Ground → Non-agricultural EF 3.1 kg 4
770abea0-20e3-4a6c-8fde-157b12cb2521 Environmental → Ground → Unknown EF 3.1 kg 4
f951dfaa-d4de-42aa-85c7-6b64df47b244 Environmental → Water → Long-term EF 3.1 kg 0
6e733a47-b959-4649-9f2f-6cf3e58eca97 Environmental → Water → Ocean EF 3.1 kg 4
401c42a4-be53-4f59-b43b-301ffe107c43 Environmental → Water → Surface water EF 3.1 kg 4
ca1a7d30-40f7-449f-8c30-dd7a9f1a7d6b Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (56 changes)

Open the changes page

Full record

Flow object JSON
{
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  "altLabel": [
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    {
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