Consensus flow list

Identity

Type
Neutral molecule
CAS
1927-95-3
EC
217-668-6
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for 4-bromophenyl Acetate

Alternative labels

10

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string XEXHCQJRVMVJMY-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C8H7BrO2/c1-6(10)11-8-4-2-7(9)3-5-8/h2-5H,1H3
IUPAC name chemrof:IUPAC_name 4-bromophenyl Acetate
Molecular formula chemrof:molecular_formula C8H7BrO2
Molecular mass chemrof:molecular_mass 215.046
Monoisotopic mass chemrof:monoisotopic_mass 213.962942
SMILES string chemrof:smiles_string CC(=O)Oc1ccc(Br)cc1

Known URLs

8

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=1927-95-3 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.016.063 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID00883774 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=404083 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL456665 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J122.290B enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/74726 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q72449049 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
e74e9f67-0c3d-49d7-9239-10ad5b116f39 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
81e3871e-d4e3-4fab-b482-088d665ec25c Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
7aaeb388-e4ee-4ce1-ae17-b16f69a1f748 Environmental → Air → Indoor EF 3.1 kg 2
07f80de6-dbb1-481d-8a45-9ecb94f45668 Environmental → Air → Long-term EF 3.1 kg 0
898f8798-071f-43ad-8288-a11add07cfaa Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
615152a5-c38d-4948-9492-f220740d3a29 Environmental → Air → Unknown EF 3.1 kg 2
e6d08049-d2ea-4cb6-ab61-ad09f7db1716 Environmental → Ground → Agricultural EF 3.1 kg 2
fdad3de9-54e0-4b18-bd15-6b2dd42d8be2 Environmental → Ground → Non-agricultural EF 3.1 kg 2
6ec217dc-c75d-459d-a25b-9370e4774f60 Environmental → Ground → Unknown EF 3.1 kg 2
1d9d9302-083e-4e26-b18b-cfc18dacc8c0 Environmental → Water → Long-term EF 3.1 kg 0
b7a14ba8-4c4a-448f-a174-f15b49cb754e Environmental → Water → Ocean EF 3.1 kg 2
2cbeedff-bce5-4fa3-a718-60e644aea769 Environmental → Water → Surface water EF 3.1 kg 2
0d2aebdb-550a-4677-b064-e53c367b2133 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-6193ab20b01f5e19",
  "prefLabel": [
    {
      "@value": "4-bromophenyl Acetate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1-Acetoxy-4-bromobenzene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=1927-95-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1-Bromo-4-acetoxybenzene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4-Acetoxybromobenzene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4-Bromoacetoxybenzene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4-Bromophenol acetate",
      "@language": "en",
      "@lang": "en",
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    },
    {
      "@value": "p-Acetoxybromobenzene",
      "@language": "en",
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    },
    {
      "@value": "p-Bromophenyl acetate",
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        ],
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      }
    },
    {
      "@value": "Phenol, 4-bromo-, 1-acetate",
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      }
    },
    {
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    "https://w3id.org/chemrof/monoisotopic_mass": {
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  },
  "references": [
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}

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