Consensus flow list

Phosphonic Acid

fo-ab5e63efb95c9b2d

Identity

Type
NeutralMolecule
CAS
13598-36-2
EC
237-066-7
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for Phosphonic Acid

This substance carries 2 candidate structures; the diagram is the first one RDKit could parse, not a settled answer.

What it is used for

2

Roles, not types. A substance bears as many as apply — sulfluramid is an insecticide and an acaricide — and each is a class ChEBI curates, asserted with ChEBI’s own has role. The narrow ones publish the broad ones alongside them, so a substance filed as a herbicide is a pesticide here too. See agricultural chemicals for what the axis is and which classes are published.

Role Definition Evidence
fungicide CHEBI:24127 A substance used to destroy fungal pests. ChEBI
pesticide CHEBI:25944 Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests. ChEBI

Alternative labels

10

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string ABLZXFCXXLZCGV-UHFFFAOYSA-N, XNQULTQRGBXLIA-UHFFFAOYSA-O
InChI2D string chemrof:inchi2d_string InChI=1S/H3O3P/c1-4(2)3/h4H,(H2,1,2,3), InChI=1S/HO3P/c1-4(2)3/h(H-,1,2,3)/p+1
IUPAC name chemrof:IUPAC_name bis(oxidanyl)-oxidanylidene-phosphanium, dihydroxy(keto)phosphonium, dihydroxy(oxo)phosphanium, dihydroxy(oxo)phosphonium
Molecular formula chemrof:molecular_formula H2O3P+, H3O3P
SMILES string chemrof:smiles_string O[P+](=O)O, [H]OP([H])(=O)O[H]

Known URLs

14

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=13598-36-2 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:44976 enrich_references.chebi_id_link
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID2049715 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1235291 enrich_references.pubchem_identifier_url
gmelin gmelin:1619 enrich_references.chebi_xrefs
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/35V6A8JW8E enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J96.461A enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C06701 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C06701 enrich_references.pubchem_identifier_url
pdb-ccd pdb-ccd:PHS enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/3084169 enrich_references.pubchem_compound
reaxys reaxys:1209272 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q126603978 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Phosphonic_acid enrich_references.chebi_xrefs

Elementary flows

13
Flow Context Source Unit CFs
89968f7f-1779-4ceb-812f-fc42a5177479 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
f4321f07-8af3-43c6-869c-e16b118755a3 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
6551419f-83e9-4e5e-8ccb-cc28e972ceb3 Environmental → Air → Indoor EF 3.1 kg 4
1fa78359-e6b7-4efd-9892-ae63f62cc441 Environmental → Air → Long-term EF 3.1 kg 0
e9922f48-9f8c-48a2-bd49-5315c5df8e0b Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
8d614fdc-c968-4c08-9f74-64908a1d4269 Environmental → Air → Unknown EF 3.1 kg 4
dd83c6a8-19ca-49e9-9153-0596bfbd8601 Environmental → Ground → Agricultural EF 3.1 kg 4
eb4775f7-6cfb-42b4-97ef-cfc4cb986216 Environmental → Ground → Non-agricultural EF 3.1 kg 4
66a6b88a-6daf-482d-9248-884d9806c0e4 Environmental → Ground → Unknown EF 3.1 kg 4
bcb94c28-6c12-4f19-9299-6bf1a33ee77a Environmental → Water → Long-term EF 3.1 kg 0
2a045390-d12a-4e8a-9509-0a76c83b6547 Environmental → Water → Ocean EF 3.1 kg 4
d924f237-b3ef-41f9-b686-fec4efc3438f Environmental → Water → Surface water EF 3.1 kg 4
263712ae-617d-4902-badd-494ba8b230cc 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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    {
      "@value": "A phosphorus oxoacid that consists of a single pentavalent phosphorus covalently bound via single bonds to a single hydrogen and two hydroxy groups and via a double bond to an oxygen. The parent of the class of phosphonic acids.",
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    }
  ]
}

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