Consensus flow list

Identity

Type
Neutral molecule
CAS
106-41-2
EC
203-394-4
Origin
EF 3.1 hybrid_name_cas_v1
Changes
57 across every transformer

Structure

Structure diagram for 4-bromophenol

What it is used for

2

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
persistent organic pollutant CHEBI:77853 Any environmental contaminant that is resistant to environmental degradation through photolytic, biological or chemical processes. Such substances can have significant impact on health and the environment, as they persist in the environment, bioaccumulate in animal tissue and so biomagnify in food chains. ChEBI

Alternative labels

8

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string GZFGOTFRPZRKDS-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C6H5BrO/c7-5-1-3-6(8)4-2-5/h1-4,8H
IUPAC name chemrof:IUPAC_name 4-bromophenol
Molecular formula chemrof:molecular_formula C6H5BrO
Molecular mass chemrof:molecular_mass 173.009
Monoisotopic mass chemrof:monoisotopic_mass 171.952377, 171.95238
SMILES string chemrof:smiles_string Oc1ccc(Br)cc1

Known URLs

41

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=106-41-2 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:47248 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.003.087 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID3051543 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=4970 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL57284 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/LAO4J0183I enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0062397 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.608K enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C14453 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C14453 enrich_references.pubchem_identifier_url
knapsack knapsack:C00036569 enrich_references.chebi_xrefs
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=143023 enrich_references.pubchem_identifier_url
MetaCyc https://metacyc.org/compound?orgid=META&id=CPD-18749 enrich_references.chebi_xrefs
pdb-ccd pdb-ccd:BML enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/7808 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=017751 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/11434383 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/12584764 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/17622410 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/21045326 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/22827705 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23026452 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23052885 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23480794 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23745961 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23954935 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24934870 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/25687609 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/26824426 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/27085014 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/27111396 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/27131033 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/4002232 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/4223725 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/6148209 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/7070199 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/8351409 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/9115183 enrich_references.chebi_xrefs
reaxys reaxys:1680024 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q26421193 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
2798e6cb-61f0-410e-9b31-cbf20af9b296 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
1ff6457d-696e-4f5e-b407-12708bf08c86 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
80ea66b7-f496-42da-af16-5ba0889a69bc Environmental → Air → Indoor EF 3.1 kg 2
d737512d-a19a-4132-b37a-07b06117fa9a Environmental → Air → Long-term EF 3.1 kg 0
4046d20e-5eed-43d4-9fcd-e10376857dd9 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
63866bf7-6964-485b-8a58-fb2400eed253 Environmental → Air → Unknown EF 3.1 kg 2
119a82d4-c667-4b7c-b3b1-b1a2e8bf9a49 Environmental → Ground → Agricultural EF 3.1 kg 2
76cbdc42-575b-454f-96b9-88949fd55a57 Environmental → Ground → Non-agricultural EF 3.1 kg 2
e3b30ab4-7f8a-45f6-92f6-0a13c5243032 Environmental → Ground → Unknown EF 3.1 kg 2
eef76c5b-c197-4cd2-8182-f232c60993b6 Environmental → Water → Long-term EF 3.1 kg 0
7c7938f9-ea15-4cf8-a331-d62a17acb588 Environmental → Water → Ocean EF 3.1 kg 2
cede33dd-05a0-4a41-a2dd-68f9f0d0ee9e Environmental → Water → Surface water EF 3.1 kg 2
68ee4635-bfc4-4b15-af42-943abf89c8bb Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (57 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-eb033125e0cb17d9",
  "prefLabel": [
    {
      "@value": "4-bromophenol",
      "@language": "en",
      "@lang": "en",
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  ],
  "altLabel": [
    {
      "@value": "1-Bromo-4-hydroxybenzene",
      "@language": "en",
      "@lang": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
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    },
    {
      "@value": "4-Hydroxybromobenzene",
      "@language": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4-Hydroxyphenyl bromide",
      "@language": "en",
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      "provenance": {
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "p-Bromohydroxybenzene",
      "@language": "en",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "p-Bromophenic acid",
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    },
    {
      "@value": "p-Bromophenol",
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      }
    },
    {
      "@value": "Phenol, 4-bromo-",
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      }
    },
    {
      "@value": "Phenol, p-bromo-",
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    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
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      "@value": [
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    },
    "https://w3id.org/chemrof/molecular_mass": {
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      "attested_by": {
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    "https://w3id.org/chemrof/IUPAC_name": {
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      "rdfs:label": "IUPAC name",
      "@value": [
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      "provenance": {
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      "attested_by": {
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  },
  "references": [
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    {
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