Consensus flow list

Identity

Type
Neutral molecule
CAS
17261-28-8
EC
241-293-7
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for 2-(diphenylphosphino)benzoic Acid

Alternative labels

5

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string UYRPRYSDOVYCOU-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C19H15O2P/c20-19(21)17-13-7-8-14-18(17)22(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14H,(H,20,21)
IUPAC name chemrof:IUPAC_name 2-(diphenylphosphino)benzoic Acid
Molecular formula chemrof:molecular_formula C19H15O2P
Molecular mass chemrof:molecular_mass 306.301
Monoisotopic mass chemrof:monoisotopic_mass 306.080966
SMILES string chemrof:smiles_string O=C(O)c1ccccc1P(c1ccccc1)c1ccccc1

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=17261-28-8 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.037.524 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID4066179 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL361405 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/5TH63M8SLV enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J286.991H enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/87021 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q56291765 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/2-Diphenylphosphinobenzoic_acid enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
e157cc8d-9382-4d7e-9873-1f202a8cc5d3 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
1de06c8d-bb30-4f05-b092-a51e603115a9 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
85b50544-a64c-4b46-97b2-59f1ebfbcf87 Environmental → Air → Indoor EF 3.1 kg 2
40bc413d-38ee-457c-aa7c-ac08da135115 Environmental → Air → Long-term EF 3.1 kg 0
709cf20d-83ec-4493-b439-3a0ab08fda86 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
3892209a-0e5e-4aed-85a5-5e8b359d554c Environmental → Air → Unknown EF 3.1 kg 2
36be1e93-8e7b-48c1-a78f-cd09e653f0c2 Environmental → Ground → Agricultural EF 3.1 kg 2
7386e2de-56b3-47a1-bcb5-40eb71faf33f Environmental → Ground → Non-agricultural EF 3.1 kg 2
65be03d4-199e-4f36-b7ff-7fb365804308 Environmental → Ground → Unknown EF 3.1 kg 2
5c5d2b34-3274-4b57-98b8-c9d0a5564a23 Environmental → Water → Long-term EF 3.1 kg 0
94d6ed3a-339c-4afb-8645-4312a9bb6167 Environmental → Water → Ocean EF 3.1 kg 2
a2fd0911-59db-475c-ac62-1d1eb4091bb0 Environmental → Water → Surface water EF 3.1 kg 2
ffc49f8d-d635-47f7-8af4-237c5a81adf6 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-b7179fb2d3292fed",
  "prefLabel": [
    {
      "@value": "2-(diphenylphosphino)benzoic Acid",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "(2-Carboxyphenyl)diphenylphosphine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-(Diphenylphosphanyl)benzoic acid",
      "@language": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benzoic acid, 2-(diphenylphosphino)-",
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      }
    },
    {
      "@value": "Benzoic acid, o-(diphenylphosphino)-",
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}

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