Consensus flow list

Identity

Type
Neutral molecule
CAS
115-96-8
EC
204-118-5
Origin
EF 3.1 hybrid_name_cas_v1
Changes
59 across every transformer

Structure

Structure diagram for Tris(2-chloroethyl) phosphate

Alternative labels

23

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string HQUQLFOMPYWACS-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C6H12Cl3O4P/c7-1-4-11-14(10,12-5-2-8)13-6-3-9/h1-6H2
IUPAC name chemrof:IUPAC_name Tris(2-chloroethyl) phosphate
Molecular formula chemrof:molecular_formula C6H12Cl3O4P
Molecular mass chemrof:molecular_mass 285.491
Monoisotopic mass chemrof:monoisotopic_mass 283.953879, 283.95388
SMILES string chemrof:smiles_string O=P(OCCCl)(OCCCl)OCCCl

Known URLs

22

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=115-96-8 enrich_references.chebi_xrefs
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=28205-79-0 enrich_references.pubchem_identifier_url
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=29716-44-7 enrich_references.pubchem_identifier_url
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:35037 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.003.744 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.045.263 enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=1677 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID5021411 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=3213 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1413786 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/32IVO568B0 enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0259276 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J4.095I enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C14445 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C14445 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/8295 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#2810 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#3082 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/19462192 enrich_references.chebi_xrefs
reaxys reaxys:1710938 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q1670500 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Tris(2-chloroethyl)_phosphate enrich_references.chebi_xrefs

Elementary flows

13
Flow Context Source Unit CFs
f2154a6f-6555-11dd-ad8b-0800200c9a66 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
fe0acd60-3ddc-11dd-a783-0050c2490048 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
86609b14-877f-44b9-9c82-f67eb0fd9209 Environmental → Air → Indoor EF 3.1 kg 4
fe0acd60-3ddc-11dd-a782-0050c2490048 Environmental → Air → Long-term EF 3.1 kg 0
4d9a8790-3ddd-11dd-8fe4-0050c2490048 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
fe0acd60-3ddc-11dd-a781-0050c2490048 Environmental → Air → Unknown EF 3.1 kg 4
fe0acd60-3ddc-11dd-a77f-0050c2490048 Environmental → Ground → Agricultural EF 3.1 kg 4
4d9a8790-3ddd-11dd-8fe8-0050c2490048 Environmental → Ground → Non-agricultural EF 3.1 kg 4
fe0acd60-3ddc-11dd-a780-0050c2490048 Environmental → Ground → Unknown EF 3.1 kg 4
4d9a8790-3ddd-11dd-8fe6-0050c2490048 Environmental → Water → Long-term EF 3.1 kg 0
4d9a8790-3ddd-11dd-8fe9-0050c2490048 Environmental → Water → Ocean EF 3.1 kg 4
4d9a8790-3ddd-11dd-8fe5-0050c2490048 Environmental → Water → Surface water EF 3.1 kg 4
4d9a8790-3ddd-11dd-8fe7-0050c2490048 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (59 changes)

Open the changes page

Full record

Flow object JSON
{
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      "@value": "Tris(2-chloroethyl) phosphate",
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  "altLabel": [
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    {
      "@value": "CEF",
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    {
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    },
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      "@value": "Fyrol CEF",
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    },
    {
      "@value": "Fyrol CF",
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    },
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      "@value": "Genomoll P",
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    },
    {
      "@value": "Niax 3CF",
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    },
    {
      "@value": "Niax Flame Retardant 3CF",
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    },
    {
      "@value": "Phosphoric acid tris(2-chloroethyl) ester",
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    {
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    },
    {
      "@value": "Tris(2-chloroethyl) orthophosphate",
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    },
    {
      "@value": "Tris(beta-chloroethyl) phosphate",
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  ],
  "properties": {
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      "@value": [
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    "https://w3id.org/chemrof/inchi2d_string": {
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