Consensus flow list

Identity

Type
Neutral molecule
CAS
6358-64-1
EC
228-782-0
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 4-chloro-2,5-dimethoxyaniline

Alternative labels

6

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string YGUFQYGSBVXPMC-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C8H10ClNO2/c1-11-7-4-6(10)8(12-2)3-5(7)9/h3-4H,10H2,1-2H3
IUPAC name chemrof:IUPAC_name 4-chloro-2,5-dimethoxyaniline
Molecular formula chemrof:molecular_formula C8H10ClNO2
Molecular mass chemrof:molecular_mass 187.626
Monoisotopic mass chemrof:monoisotopic_mass 187.040006
SMILES string chemrof:smiles_string COc1cc(Cl)c(OC)cc1N

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=6358-64-1 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.026.165 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID9040718 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=60154 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1901690 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/T659IW8P4S enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J55.362J enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/22833 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27289721 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
bce8da9e-ea99-4689-8a3a-08ba0fa28a5a Environmental → Air → Aircraft cruise height EF 3.1 kg 2
c3a471f2-bdd3-4cc7-959a-2cfcb7769b6a Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
148ad6de-ee23-44f0-b0a2-840ba810b772 Environmental → Air → Indoor EF 3.1 kg 2
d0d6aa47-dcc3-4fee-84fc-35c15a8e7dc6 Environmental → Air → Long-term EF 3.1 kg 0
95c17cee-e24e-4b7b-9453-4a4646a43aba Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
d55afa85-2844-4053-ae62-716af1034506 Environmental → Air → Unknown EF 3.1 kg 2
b043a7d8-19e4-4e99-af96-21649665ccb5 Environmental → Ground → Agricultural EF 3.1 kg 2
f251f456-92f4-4fd6-bee9-5ff6baf61f09 Environmental → Ground → Non-agricultural EF 3.1 kg 2
a829d41b-0d0f-4acd-8492-ada5cf607b95 Environmental → Ground → Unknown EF 3.1 kg 2
30f15fe7-f925-4bde-b6e0-ce7dd7396e19 Environmental → Water → Long-term EF 3.1 kg 0
0c570f08-ab15-410a-8cfb-1a0bf9fdf1f0 Environmental → Water → Ocean EF 3.1 kg 2
be3d78f5-cef1-41a1-8458-3451e1307747 Environmental → Water → Surface water EF 3.1 kg 2
27f9946b-324a-494e-869c-9514ffd36152 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (54 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-22007b331d6e2bc6",
  "prefLabel": [
    {
      "@value": "4-chloro-2,5-dimethoxyaniline",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "(4-Chloro-2,5-dimethoxyphenyl)amine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "https://commonchemistry.cas.org/detail?cas_rn=6358-64-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1-Amino-4-chloro-2,5-dimethoxybenzene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2,5-Dimethoxy-4-chloroaniline",
      "@language": "en",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4-Chloro-2,5-dimethoxybenzenamine",
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      }
    },
    {
      "@value": "Aniline, 4-chloro-2,5-dimethoxy-",
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}

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