Consensus flow list

Identity

Type
Neutral molecule
CAS
106-40-1
EC
203-393-9
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for 4-bromoaniline

Alternative labels

10

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string WDFQBORIUYODSI-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C6H6BrN/c7-5-1-3-6(8)4-2-5/h1-4H,8H2
IUPAC name chemrof:IUPAC_name 4-bromoaniline
Molecular formula chemrof:molecular_formula C6H6BrN
Molecular mass chemrof:molecular_mass 172.025
Monoisotopic mass chemrof:monoisotopic_mass 170.968361
SMILES string chemrof:smiles_string Nc1ccc(Br)cc1

Known URLs

12

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=106-40-1 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.003.086 enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=1226 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID7021867 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=7085 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL57376 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/0RR61TC330 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J47.028G enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/7807 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#2811 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q412773 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/4-Bromoaniline enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
394f555a-494c-4c06-8191-c991f887a90a Environmental → Air → Aircraft cruise height EF 3.1 kg 2
e2ef179e-6a3e-4dcf-af06-eb7f74373933 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
6e45d91c-44be-4b8d-9ff9-a7436a511ede Environmental → Air → Indoor EF 3.1 kg 2
77c1b579-73e0-4166-99b6-5afb12be940d Environmental → Air → Long-term EF 3.1 kg 0
9f9dce1f-c127-425e-a6ce-ced5516fd97a Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
e79d1d82-3d77-4d3f-ba13-4cda3c4087b3 Environmental → Air → Unknown EF 3.1 kg 2
38adc7e2-c7b3-4115-a098-a2d43db258c9 Environmental → Ground → Agricultural EF 3.1 kg 2
1e7a2ddd-574b-4311-9583-2859d9e8d27f Environmental → Ground → Non-agricultural EF 3.1 kg 2
b2b62228-86cb-4b84-a1ec-1eefcb19cd3a Environmental → Ground → Unknown EF 3.1 kg 2
4630c2c4-9f1f-4970-85b5-8229f955caab Environmental → Water → Long-term EF 3.1 kg 0
675929d1-f773-40da-a8d8-d063257ae14a Environmental → Water → Ocean EF 3.1 kg 2
69dd9769-ece0-4953-b346-c6d2ee5d80e3 Environmental → Water → Surface water EF 3.1 kg 2
c51fd057-7d4e-409d-b963-41eef42fef17 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-1404d123bbf27da4",
  "prefLabel": [
    {
      "@value": "4-bromoaniline",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1-Amino-4-bromobenzene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "https://commonchemistry.cas.org/detail?cas_rn=106-40-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4-Aminobromobenzene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4-Bromobenzenamine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4-Bromophenylamine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Aniline, p-bromo-",
      "@language": "en",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benzenamine, 4-bromo-",
      "@language": "en",
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    },
    {
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    },
    {
      "@value": "p-Aminophenyl bromide",
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    },
    {
      "@value": "p-Bromoaniline",
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}

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