Consensus flow list

1,4-dibromobut-2-ene

fo-06573aba7deb8fe3

Identity

Type
NeutralMolecule
CAS
821-06-7
EC
212-472-7
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for 1,4-dibromobut-2-ene

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

Alternative labels

10

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string RMXLHIUHKIVPAB-OWOJBTEDSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C4H6Br2/c5-3-1-2-4-6/h1-2H,3-4H2/b2-1+
Isomeric SMILES string chemrof:isomeric_smiles_string BrC/C=C/CBr
IUPAC name chemrof:IUPAC_name (2E)-1,4-Dibromo-2-butene
Molecular formula chemrof:molecular_formula C4H6Br2
Molecular mass chemrof:molecular_mass 213.9
Monoisotopic mass chemrof:monoisotopic_mass 211.883624
SMILES string chemrof:smiles_string BrCC=CCBr

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=821-06-7 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.011.338 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.027.473 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID8024941 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1324439 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J55.489H enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J7.120J enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/641245 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#2588 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q72464010 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
55147726-d077-4ab2-858c-1014ae248c6e Environmental → Air → Aircraft cruise height EF 3.1 kg 2
8c1eb3e0-2863-469e-bba5-6e4fdaea6563 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
c36de76b-acf3-4571-aa2d-6e8e55c79cb6 Environmental → Air → Indoor EF 3.1 kg 2
ae83b94e-5e04-4bfa-b472-fb5ce40f0328 Environmental → Air → Long-term EF 3.1 kg 0
2c534bbb-c02f-4123-a159-eedb6044cd78 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
e1c6ece6-4f3f-4af9-aa11-e355a5b1856d Environmental → Air → Unknown EF 3.1 kg 2
df020992-9b94-411a-acfa-cb4962d8b27b Environmental → Ground → Agricultural EF 3.1 kg 2
87088eee-0395-4f2f-9959-1f30a22d635f Environmental → Ground → Non-agricultural EF 3.1 kg 2
4551349a-c4a5-4564-994a-771d859e5cfe Environmental → Ground → Unknown EF 3.1 kg 2
0d567872-8cc3-4e73-b21a-2407aa73bb81 Environmental → Water → Long-term EF 3.1 kg 0
aaaa2228-351c-442f-8664-883b200f2f53 Environmental → Water → Ocean EF 3.1 kg 2
48f16ead-ba7f-4736-ba97-f33d57094180 Environmental → Water → Surface water EF 3.1 kg 2
225d8cd1-127c-4e5c-9102-2f7527d71e66 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON 
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      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=212-472-7"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "ec_numbers"
      }
    }
  },
  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ]
}

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