Brightway Flows 1.0
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3,5-dibromo-2-hydroxybenzaldehyde

fo-b89263da9a3c4ed1

Identity

Type
Neutral molecule
CAS
90-59-5
EC
202-003-4
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for 3,5-dibromo-2-hydroxybenzaldehyde

Alternative labels

8

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string JHZOXYGFQMROFJ-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C7H4Br2O2/c8-5-1-4(3-10)7(11)6(9)2-5/h1-3,11H
IUPAC name chemrof:IUPAC_name 3,5-dibromo-2-hydroxybenzaldehyde
Molecular formula chemrof:molecular_formula C7H4Br2O2
Molecular mass chemrof:molecular_mass 279.915
Monoisotopic mass chemrof:monoisotopic_mass 277.857804
SMILES string chemrof:smiles_string O=Cc1cc(Br)cc(Br)c1O

Known URLs

9

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=90-59-5 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.001.822 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID1021796 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=6221 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL229251 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/7A260PBI3A enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J4.323K enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/7024 enrich_references.pubchem_compound
Wikidata https://www.wikidata.org/wiki/Q27266799 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
1be33b69-99f3-4a58-a434-94a14feec268 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
c076a2f7-7da5-4bca-ad72-c5e3a08a9234 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
80ca1da6-e064-41b0-9bd3-615aaf9b53c4 Environmental → Air → Indoor EF 3.1 kg 2
cc13850a-ed86-4d58-8c3d-fe4df126ee8f Environmental → Air → Long-term EF 3.1 kg 0
4cdf18e5-84b0-4379-a33c-dcb45fadca53 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
92ba4a3c-8fe0-4f21-8f01-4fe09bc8216b Environmental → Air → Unknown EF 3.1 kg 2
7867ee5b-f11d-4339-ae26-3ef2eb54cea0 Environmental → Ground → Agricultural EF 3.1 kg 2
d4abf46a-49bf-4b47-8b58-47bcd9f23e76 Environmental → Ground → Non-agricultural EF 3.1 kg 2
95545726-ef18-4855-95f6-e7049769dc0a Environmental → Ground → Unknown EF 3.1 kg 2
dda2a9fb-b894-45a8-ba23-00bbb302b0b4 Environmental → Water → Long-term EF 3.1 kg 0
c9c9327c-c943-472a-86ee-2ab9f45ec659 Environmental → Water → Ocean EF 3.1 kg 2
bbff6c21-c9b1-4fc6-94e9-a9b3393ef5ed Environmental → Water → Surface water EF 3.1 kg 2
8e13a86a-5492-42a0-a81e-4ad44fef4ddc 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 
{
  "flow_object_id": "fo-b89263da9a3c4ed1",
  "prefLabel": [
    {
      "@value": "3,5-dibromo-2-hydroxybenzaldehyde",
      "@language": "en",
      "@lang": "en",
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        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1-Formyl-2-hydroxy-3,5-dibromobenzene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "https://commonchemistry.cas.org/detail?cas_rn=90-59-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2,4-Dibromo-6-formylphenol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "brightway-flows",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-Hydroxy-3,5-dibromobenzaldehyde",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "3,5-Dibromosalicylaldehyde",
      "@language": "en",
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    },
    {
      "@value": "4,6-Dibromo-2-formylphenol",
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    },
    {
      "@value": "Benzaldehyde, 3,5-dibromo-2-hydroxy-",
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    },
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}

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