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Quinclorac-dimethylammonium

fo-35c360f446859fba

Identity

Type
Molecular complex
CAS
84087-48-9
EC
—
Origin
ecoinvent-3.12 hybrid_name_cas_v1
Changes
0 across every transformer

Structure

Structure diagram for Quinclorac-dimethylammonium

What it is used for

4

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
agrochemical CHEBI:33286 An agrochemical is a substance that is used in agriculture or horticulture. 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
plant growth regulator CHEBI:26155 A chemical, natural or artificial, that can affect the rate of growth of a plant. ChEBI

Alternative labels

3

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string PJPDUXCVLFAQBM-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C10H5Cl2NO2.C2H7N/c11-6-3-5-1-2-7(12)8(10(14)15)9(5)13-4-6;1-3-2/h1-4H,(H,14,15);3H,1-2H3
IUPAC name chemrof:IUPAC_name 3,7-dichloroquinoline-8-carboxylic acid - dimethylamine (1:1)
Molecular formula chemrof:molecular_formula C10H5Cl2NO2.C2H7N, C12H12Cl2N2O2
Molecular mass chemrof:molecular_mass 287.146
Monoisotopic mass chemrof:monoisotopic_mass 286.02758, 286.027583
SMILES string chemrof:smiles_string CNC.O=C(O)c1c(Cl)ccc2cc(Cl)cnc12

Known URLs

5

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=84087-48-9 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:132180 enrich_references.chebi_id_link
pesticides pesticides:derivatives/quinclorac-dimethylammonium enrich_references.chebi_xrefs
ppdb ppdb:2670 enrich_references.chebi_xrefs
reaxys reaxys:24106302 enrich_references.chebi_xrefs

Elementary flows

7
Flow Context Source Unit CFs
d7d5173dadbb94e654a405f6908cef825c68c6e1 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) ecoinvent algorithm addition kg 0
d96323bea10b804d20524159269bd7d3cf7f76c5 Environmental → Air → Unknown ecoinvent algorithm addition kg 0
e2a4cd55bbb49c9702b6507c5e3ba3eb4c1432e2 Environmental → Ground → Agricultural ecoinvent algorithm addition kg 0
0da9d473b5ae3b41205557bb63d401bc2f568a98 Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
ce622952c2fb1b1d0ad69fbda431fc08727a1b2c Environmental → Ground → Unknown ecoinvent algorithm addition kg 0
8d01d69f06658c1b8aacfe5a55261e11724e0542 Environmental → Water → Surface water ecoinvent algorithm addition kg 0
17ee7997f181ff3ee3827de3c4d65211cd690f99 Environmental → Water → Unknown ecoinvent algorithm addition kg 0

History

Everything that changed this substance (0 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-35c360f446859fba",
  "prefLabel": [
    {
      "@value": "Quinclorac-dimethylammonium",
      "@language": "en",
      "@lang": "en",
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        ],
        "prov:wasDerivedFrom": "legacy name field"
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  ],
  "altLabel": [
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      }
    },
    {
      "@value": "3,7-dichloroquinoline-8-carboxylic acid--N-methylmethanamine (1/1)",
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      "@lang": "en",
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    },
    {
      "@value": "N-methylmethanaminium 3,7-dichloroquinoline-8-carboxylate",
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  "properties": {
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      ],
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        ]
      },
      "rdfs:label": "Molecular formula",
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      }
    }
  ]
}

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