Consensus flow list

Identity

Type
Neutral molecule
CAS
63562-34-5
EC
264-313-6
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for Bis(2-hydroxyethyl) (6h-dibenz[c,e][1,2]oxaphosphorin-6-ylmethyl)succinate P-oxide

Alternative labels

13

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string MJOBQUIJUFKMPR-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C21H23O8P/c22-9-11-27-20(24)13-15(21(25)28-12-10-23)14-30(26)19-8-4-2-6-17(19)16-5-1-3-7-18(16)29-30/h1-8,15,22-23H,9-14H2
IUPAC name chemrof:IUPAC_name 9,10-Dihydro-9-oxa-10-[2,3-di(2-hydroxyethoxy)carbonylpropyl]-10-phosphaphenanthrene-10-oxide
Molecular formula chemrof:molecular_formula C21H23O8P
Molecular mass chemrof:molecular_mass 434.381
Monoisotopic mass chemrof:monoisotopic_mass 434.113054
SMILES string chemrof:smiles_string O=C(CC(CP1(=O)Oc2ccccc2-c2ccccc21)C(=O)OCCO)OCCO

Known URLs

7

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=63562-34-5 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.058.449 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID60886625 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J349.259A enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J38.525E enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/112694 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q72445950 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
84d31d51-e144-45de-8380-ce2b61b1be9f Environmental → Air → Aircraft cruise height EF 3.1 kg 2
6c51ce07-1dd2-45ed-b391-edeba79a1f99 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
9f8c2727-c75d-4081-a41b-ae677490ac6b Environmental → Air → Indoor EF 3.1 kg 2
c2709b18-a997-4fe7-9e69-872b64f5e48a Environmental → Air → Long-term EF 3.1 kg 0
dc132973-2ab6-4298-8443-d9c53095f224 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
85450540-a235-4e0e-8c67-fd72849d7465 Environmental → Air → Unknown EF 3.1 kg 2
3de5bba2-7876-4015-a1fc-e493881b9715 Environmental → Ground → Agricultural EF 3.1 kg 2
d318c83a-c3fb-4bf8-9ae0-ca2270b83d1c Environmental → Ground → Non-agricultural EF 3.1 kg 2
d82063d0-3a3d-4b92-aaf9-f1dd065e73a1 Environmental → Ground → Unknown EF 3.1 kg 2
551f37f3-e977-434b-a3ed-ae2fdad15ff6 Environmental → Water → Long-term EF 3.1 kg 0
060d8076-d2ce-44b8-b677-6347a52dbd32 Environmental → Water → Ocean EF 3.1 kg 2
158d0ee7-139d-4061-9541-95030c0c85ae Environmental → Water → Surface water EF 3.1 kg 2
af84f403-0725-421f-9fed-052b1aefae3d 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-08e83b3234759794",
  "prefLabel": [
    {
      "@value": "Bis(2-hydroxyethyl) (6h-dibenz[c,e][1,2]oxaphosphorin-6-ylmethyl)succinate P-oxide",
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  ],
  "altLabel": [
    {
      "@value": "10-(9,10-Dihydro-9-oxa-10-phosphaphenanthrene-10-oxide)-2-methylbutanedicarboxylic acid bis(2-hydroxyethyl) ester",
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    {
      "@value": "9,10-Dihydro-9-oxa-10-[2,3-di(2-hydroxyethoxy)carbonylpropyl]-10-phosphaphenanthrene-10-oxide",
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    },
    {
      "@value": "Bis(2-hydroxyethyl) 2-[[10-(9,10-dihydro-9-oxa-10-phosphaphenanthren-10-oxide)]methyl]butanedioate",
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    },
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      "@value": "Butanedioic acid, (6H-dibenz[c,e][1,2]oxaphosphorin-6-ylmethyl)-, bis(2-hydroxyethyl) ester, P-oxide",
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      "@value": "Denaphorus R 112",
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    "http://semanticscience.org/resource/CHEMINF_000446": {
      "@value": [
        "63562-34-5"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=63562-34-5"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
        {
          "@id": "https://commonchemistry.cas.org/detail?cas_rn=63562-34-5"
        }
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    "http://semanticscience.org/resource/CHEMINF_000447": {
      "@value": [
        "264-313-6"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=264-313-6"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "ec_numbers"
      }
    }
  },
  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ]
}

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