Consensus flow list

Identity

Type
NeutralMolecule
CAS
77501-60-1
EC
616-465-3
Origin
EF 3.1 hybrid_name_cas_v1
Changes
57 across every transformer

Structure

Structure diagram for Fluoroglycofen

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
herbicide CHEBI:24527 A substance used to destroy plant 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

7

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string DHAHEVIQIYRFRG-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C16H9ClF3NO7/c17-11-5-8(16(18,19)20)1-4-13(11)28-9-2-3-12(21(25)26)10(6-9)15(24)27-7-14(22)23/h1-6H,7H2,(H,22,23)
IUPAC name chemrof:IUPAC_name ({5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoyl}oxy)acetic acid
Molecular formula chemrof:molecular_formula C16H9ClF3NO7
Molecular mass chemrof:molecular_mass 419.695
Monoisotopic mass chemrof:monoisotopic_mass 419.00196, 419.001964
SMILES string chemrof:smiles_string O=C(O)COC(=O)c1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-]

Known URLs

19

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=77501-60-1 enrich_references.chebi_xrefs
cba cba:485639 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:81921 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.111.375 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID00868440 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/2U44V3F1K2 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J490.828G enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C18732 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C18732 enrich_references.pubchem_identifier_url
pesticides pesticides:fluoroglycofen enrich_references.chebi_xrefs
ppdb ppdb:339 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/92395 enrich_references.pubchem_compound
PubMed https://pubmed.ncbi.nlm.nih.gov/25175657 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/25348875 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/28854713 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/29183594 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/37395748 enrich_references.chebi_xrefs
reaxys reaxys:8724259 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q27155658 enrich_references.pubchem_identifier_url

Elementary flows

14
Flow Context Source Unit CFs
b8ca605d-3a92-412d-816b-83c3ec0101c5 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
ac11cdbb-f8ec-42c3-93d8-82a31fbd4de1 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
374061ef-36cf-4662-8ee5-0a10eb7fab49 Environmental → Air → Indoor EF 3.1 kg 4
ec934c8a-c791-4c88-afc1-3fa42307e64f Environmental → Air → Long-term EF 3.1 kg 0
71722098-a757-45d8-bcfa-7b4edcec92ba Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
362f1145-40a3-4f71-9c03-5ee4313ea6ec Environmental → Air → Unknown EF 3.1 kg 4
666e704e-3836-41d9-9169-aefae4dd6a18 Environmental → Ground → Agricultural EF 3.1 kg 4
0fb6b63a-423e-4084-b561-4e69f74c6808 Environmental → Ground → Non-agricultural EF 3.1 kg 4
8ba74db222d76521c5cb864e26f756e405cbc286 Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
b2478c69-835d-442d-9cdd-2d704edb4ef2 Environmental → Ground → Unknown EF 3.1 kg 4
28aa8e2d-87c4-40e7-85e6-bb7b1606b796 Environmental → Water → Long-term EF 3.1 kg 0
be52716c-ce8d-4837-a696-25d6c91541bf Environmental → Water → Ocean EF 3.1 kg 4
9ff9d287-9e09-435e-89e8-d8f7a0fc89c8 Environmental → Water → Surface water EF 3.1 kg 4
8b5cc640-ea4b-4056-9d01-56d5979a899b Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (57 changes)

Open the changes page

Full record

Flow object JSON
{
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    },
    {
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    },
    {
      "@value": "Benzoic Acid, 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-, Carboxymethyl Ester",
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