Consensus flow list

Diisopropyl Paraoxon

fo-da84f7ab5a5f222b

Identity

Type
Neutral molecule
CAS
3254-66-8
EC
—
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for Diisopropyl Paraoxon

Alternative labels

9

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string SHMLKFTUAKLHHF-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C12H18NO6P/c1-9(2)17-20(16,18-10(3)4)19-12-7-5-11(6-8-12)13(14)15/h5-10H,1-4H3
IUPAC name chemrof:IUPAC_name (4-Nitrophenyl) dipropan-2-yl phosphate
Molecular formula chemrof:molecular_formula C12H18NO6P
Molecular mass chemrof:molecular_mass 303.251
Monoisotopic mass chemrof:monoisotopic_mass 303.087174
SMILES string chemrof:smiles_string CC(C)OP(=O)(Oc1ccc([N+](=O)[O-])cc1)OC(C)C

Known URLs

9

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=3254-66-8 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID90186246 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=132954 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL23837 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/R90A2849YV enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J7.699F enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/76742 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27287986 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Diisopropyl_paraoxon enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
06c361a9-4979-40de-aca7-01857bc7dbd6 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
951c4896-ed8d-4ff8-b82a-76d972caf4d6 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
74b3ecad-96eb-4ecf-af6b-0456990b6f6e Environmental → Air → Indoor EF 3.1 kg 2
e468cc47-dbb2-4c33-831e-227a55efbf9d Environmental → Air → Long-term EF 3.1 kg 0
da4e74b4-b021-4242-9682-c6de696cdcae Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
7a1330ed-79e3-4363-8f43-ccce18a87a41 Environmental → Air → Unknown EF 3.1 kg 2
8d99b574-0fef-4f44-84ef-af7a297e287b Environmental → Ground → Agricultural EF 3.1 kg 2
f1d4e2f3-abfe-40ed-b843-05675ca8e4f5 Environmental → Ground → Non-agricultural EF 3.1 kg 2
83447759-cc79-48fd-8d70-701f0e09e831 Environmental → Ground → Unknown EF 3.1 kg 2
27f12d28-64f7-4a4b-8ab2-d38272f78e4b Environmental → Water → Long-term EF 3.1 kg 0
df770b89-3fb4-43dc-9022-64ef95e03392 Environmental → Water → Ocean EF 3.1 kg 2
c8fb419a-2509-4ba5-8955-c450f2e613a0 Environmental → Water → Surface water EF 3.1 kg 2
a0e51162-c50b-4202-8b95-6fb252143890 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 
{
  "flow_object_id": "fo-da84f7ab5a5f222b",
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    {
      "@value": "Diisopropyl Paraoxon",
      "@language": "en",
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    },
    {
      "@value": "Bis(1-methylethyl) 4-nitrophenyl phosphate",
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    },
    {
      "@value": "Diisopropyl p-nitrophenyl phosphate",
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    },
    {
      "@value": "Isopropyl paraoxon",
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      "@value": "Propicol",
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