Consensus flow list

Identity

Type
Neutral molecule
CAS
1122-91-4
EC
214-365-0
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for 4-bromobenzaldehyde

Alternative labels

9

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string ZRYZBQLXDKPBDU-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C7H5BrO/c8-7-3-1-6(5-9)2-4-7/h1-5H
IUPAC name chemrof:IUPAC_name 4-bromobenzaldehyde
Molecular formula chemrof:molecular_formula C7H5BrO
Molecular mass chemrof:molecular_mass 185.02
Monoisotopic mass chemrof:monoisotopic_mass 183.952377
SMILES string chemrof:smiles_string O=Cc1ccc(Br)cc1

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=1122-91-4 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.013.060 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID5061534 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=21638 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3753357 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/4L8VM24F65 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J30.727K enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/70741 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27259983 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/4-Bromobenzaldehyde enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
d5030150-b996-4b3c-8b9e-8f8d83c7fbda Environmental → Air → Aircraft cruise height EF 3.1 kg 2
d90ee991-da36-41dc-b7a7-9713a6962297 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
7167286b-b6a3-45a3-b960-2439dac57898 Environmental → Air → Indoor EF 3.1 kg 2
6b8f0830-f049-4ffe-904b-24978e5c7ba4 Environmental → Air → Long-term EF 3.1 kg 0
6c8af1d2-ffd2-4307-89c4-edee4d8f8bd7 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
6d176c33-f3a5-44ce-a762-d981bb7014e9 Environmental → Air → Unknown EF 3.1 kg 2
ab7bde6b-3215-4e1d-9eb3-417cd73cca6b Environmental → Ground → Agricultural EF 3.1 kg 2
d0c10c54-5e6c-4820-a7f8-7e07477a9180 Environmental → Ground → Non-agricultural EF 3.1 kg 2
b9e03d79-e6e0-4bca-ae88-794906f0eb84 Environmental → Ground → Unknown EF 3.1 kg 2
8f2f474e-46fa-488b-9d0c-70ee622e872b Environmental → Water → Long-term EF 3.1 kg 0
5ffd1def-7e21-4952-b6a5-d900689677e7 Environmental → Water → Ocean EF 3.1 kg 2
4c863c6c-47b4-43b2-a2ab-3dd9c38d8c78 Environmental → Water → Surface water EF 3.1 kg 2
a31ab7c1-1d14-4bf1-b234-2fc7db02ca4f 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-cb783fed9ee62386",
  "prefLabel": [
    {
      "@value": "4-bromobenzaldehyde",
      "@language": "en",
      "@lang": "en",
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        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1-Bromo-4-formylbenzene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
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      }
    },
    {
      "@value": "4-Bromobenzenealdehyde",
      "@language": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4-Formyl-1-bromobenzene",
      "@language": "en",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4-Formylbromobenzene",
      "@language": "en",
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4-Formylphenyl bromide",
      "@language": "en",
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    },
    {
      "@value": "Benzaldehyde, 4-bromo-",
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    },
    {
      "@value": "Benzaldehyde, p-bromo-",
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    {
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