Consensus flow list

Identity

Type
NeutralMolecule
CAS
25057-89-0
EC
246-585-8
Origin
EF 3.1 hybrid_name_cas_v1
Changes
58 across every transformer

Structure

Structure diagram for Bentazone

What it is used for

3

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
environmental contaminant CHEBI:78298 Any minor or unwanted substance introduced into the environment that can have undesired effects. ChEBI
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

23

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string ZOMSMJKLGFBRBS-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C10H12N2O3S/c1-7(2)12-10(13)8-5-3-4-6-9(8)11-16(12,14)15/h3-7,11H,1-2H3
IUPAC name chemrof:IUPAC_name 3-(propan-2-yl)-1H-2,1,3-benzothiadiazin-4(3H)-one 2,2-dioxide
Molecular formula chemrof:molecular_formula C10H12N2O3S
Molecular mass chemrof:molecular_mass 240.284
Monoisotopic mass chemrof:monoisotopic_mass 240.05686, 240.056863
SMILES string chemrof:smiles_string CC(C)N1C(=O)c2ccccc2NS1(=O)=O

Known URLs

21

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=25057-89-0 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:3018 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.042.335 enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=0828 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID0023901 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1567045 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/R4S7ZGZ9CT enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0248965 enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C10965 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C10965 enrich_references.pubchem_identifier_url
lincs.smallmolecule lincs.smallmolecule:LSM-20931 enrich_references.chebi_xrefs
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=67425 enrich_references.pubchem_identifier_url
pesticides pesticides:bentazone enrich_references.chebi_xrefs
ppdb ppdb:71 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/2328 enrich_references.pubchem_compound
PubMed https://pubmed.ncbi.nlm.nih.gov/24393062 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24412734 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/25281094 enrich_references.chebi_xrefs
reaxys reaxys:530220 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q148937 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Bentazon enrich_references.chebi_xrefs

Elementary flows

15
Flow Context Source Unit CFs
3e4cdb5b-6556-11dd-ad8b-0800200c9a66 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
fe0acd60-3ddc-11dd-a9f7-0050c2490048 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
e6f510dc-2aa8-467e-ad01-a5f91efb68eb Environmental → Air → Indoor EF 3.1 kg 4
fe0acd60-3ddc-11dd-a9f6-0050c2490048 Environmental → Air → Long-term EF 3.1 kg 0
08a91e70-3ddc-11dd-91f2-0050c2490048 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
fe0acd60-3ddc-11dd-a9f5-0050c2490048 Environmental → Air → Unknown EF 3.1 kg 4
fe0acd60-3ddc-11dd-a9f3-0050c2490048 Environmental → Ground → Agricultural EF 3.1 kg 4
08a91e70-3ddc-11dd-9632-0050c2490048 Environmental → Ground → Non-agricultural EF 3.1 kg 4
1a5b7514ce45adec0b94c068f65c3b7203db9ae6 Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
fe0acd60-3ddc-11dd-a9f4-0050c2490048 Environmental → Ground → Unknown EF 3.1 kg 4
08a91e70-3ddc-11dd-91f4-0050c2490048 Environmental → Water → Long-term EF 3.1 kg 0
08a91e70-3ddc-11dd-9633-0050c2490048 Environmental → Water → Ocean EF 3.1 kg 4
08a91e70-3ddc-11dd-91f3-0050c2490048 Environmental → Water → Surface water EF 3.1 kg 4
d8c0943af64c7237ebb3f0ab1dbe389803e6f1e9 Environmental → Water → Unconfined aquifer ecoinvent algorithm addition kg 0
08a91e70-3ddc-11dd-91f5-0050c2490048 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (58 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-edf9b442b0a742a6",
  "prefLabel": [
    {
      "@value": "Bentazone",
      "@language": "en",
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  ],
  "altLabel": [
    {
      "@value": "1H-2,1,3-Benzothiadiazin-4(3H)-one, 3-(1-methylethyl)-, 2,2-dioxide",
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      }
    },
    {
      "@value": "1H-2,1,3-Benzothiadiazin-4(3H)-one, 3-isopropyl-, 2,2-dioxide",
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    },
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      "@value": "3,4-Dihydro-3-isopropyl-1H-2,1,3-benzothiadiazin-4-one 2,2-dioxide",
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      }
    },
    {
      "@value": "3,4-Dihydro-3-isopropyl-4-oxo-1H-2,1,3-benzothiadiazine 2,2-dioxide",
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    },
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      "@value": "3-(propan-2-yl)-1H-2,1,3-benzothiadiazin-4(3H)-one 2,2-dioxide",
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    {
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    },
    {
      "@value": "3-Isopropyl-1H-2,1,3-benzothiadiazin-4(3H)-one S,S-dioxide",
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    },
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      "@value": "3-Isopropyl-1H-2,1,3-benzothiadiazine-4(3H)-one 2,2-dioxide",
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    {
      "@value": "3-Isopropyl-2,1,3-benzothiadiazinon-(4)-2,2-dioxide",
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      }
    },
    {
      "@value": "3-Isopropyl-2,1,3-benzothiodiazin-4-one 2,2-dioxide",
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      }
    },
    {
      "@value": "3-Isopropyl-4-oxo-2,1,3-benzothiadiazine 2,2-dioxide",
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      }
    },
    {
      "@value": "BAS 351-07H",
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Basagran",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Basagran 480SL",
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      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Basamais",
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Bazargan",
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      "@lang": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Bendioxide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Bentazon",
      "@language": "en",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Corsar",
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      "provenance": {
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Leader",
      "@language": "en",
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      "provenance": {
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    },
    {
      "@value": "Miecaosong",
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  ],
  "properties": {
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