Consensus flow list

Identity

Type
NeutralMolecule
CAS
314-40-9
EC
206-245-1
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for Bromacil

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

17

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string CTSLUCNDVMMDHG-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C9H13BrN2O2/c1-4-5(2)12-8(13)7(10)6(3)11-9(12)14/h5H,4H2,1-3H3,(H,11,14)
IUPAC name chemrof:IUPAC_name (RS)-5-bromo-3-sec-butyl-6-methyluracil
Molecular formula chemrof:molecular_formula C9H13BrN2O2
Molecular mass chemrof:molecular_mass 261.119
Monoisotopic mass chemrof:monoisotopic_mass 260.01604
SMILES string chemrof:smiles_string CCC(C)n1c(=O)[nH]c(C)c(Br)c1=O

Known URLs

10

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=314-40-9 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:3177 enrich_references.chebi_id_link
KEGG https://www.genome.jp/entry/C10911 enrich_references.chebi_xrefs
patent patent:CN101597265 enrich_references.chebi_xrefs
pesticides pesticides:bromacil enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/19906401 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/21953966 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/25163558 enrich_references.chebi_xrefs
reaxys reaxys:647896 enrich_references.chebi_xrefs
Wikipedia https://en.wikipedia.org/wiki/Bromacil enrich_references.chebi_xrefs

Elementary flows

14
Flow Context Source Unit CFs
041ff94e-6556-11dd-ad8b-0800200c9a66 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
fe0acd60-3ddc-11dd-b17e-0050c2490048 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
e1bfd4e9-94a8-4357-b860-73fe94e15639 Environmental → Air → Indoor EF 3.1 kg 2
fe0acd60-3ddc-11dd-b17d-0050c2490048 Environmental → Air → Long-term EF 3.1 kg 0
fe0acd60-3ddc-11dd-b17f-0050c2490048 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
fe0acd60-3ddc-11dd-b17c-0050c2490048 Environmental → Air → Unknown EF 3.1 kg 2
fe0acd60-3ddc-11dd-b17a-0050c2490048 Environmental → Ground → Agricultural EF 3.1 kg 2
fe0acd60-3ddc-11dd-b183-0050c2490048 Environmental → Ground → Non-agricultural EF 3.1 kg 2
e27feca14f50f00b97fdbfdc52f042332ddab20e Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
fe0acd60-3ddc-11dd-b17b-0050c2490048 Environmental → Ground → Unknown EF 3.1 kg 2
fe0acd60-3ddc-11dd-b181-0050c2490048 Environmental → Water → Long-term EF 3.1 kg 0
fe0acd60-3ddc-11dd-b184-0050c2490048 Environmental → Water → Ocean EF 3.1 kg 2
fe0acd60-3ddc-11dd-b180-0050c2490048 Environmental → Water → Surface water EF 3.1 kg 2
fe0acd60-3ddc-11dd-b182-0050c2490048 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (56 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-5012ecc7c786b851",
  "prefLabel": [
    {
      "@value": "Bromacil",
      "@language": "en",
      "@lang": "en",
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        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "(RS)-5-bromo-3-sec-butyl-6-methyluracil",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "(±)-Bromacil",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2,4(1H,3H)-Pyrimidinedione, 5-bromo-6-methyl-3-(1-methylpropyl)-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "3-sec-Butyl-5-bromo-6-methyluracil",
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      "@lang": "en",
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    },
    {
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    },
    {
      "@value": "5-bromo-6-methyl-3-(1-methyl-N-propyl)",
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    },
    {
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    },
    {
      "@value": "5-bromo-6-methyl-3-(1-methylpropyl)-2,4(1H,3H)-pyrimidinedione",
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    },
    {
      "@value": "DuPont 976",
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    },
    {
      "@value": "Hyvar X",
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    },
    {
      "@value": "Hyvar X bromacil",
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    {
      "@value": "Hyvarex",
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    },
    {
      "@value": "rac-5-bromo-3-(butan-2-yl)-6-methylpyrimidine-2,4(1H,3H)-dione",
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    },
    {
      "@value": "Uracil, 5-bromo-3-sec-butyl-6-methyl-",
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    },
    {
      "@value": "Uragan",
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  ],
  "properties": {
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    }
  ]
}

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