Consensus flow list

Identity

Type
Neutral molecule
CAS
554-00-7
EC
209-057-8
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for 2,4-dichloroaniline

Alternative labels

8

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string KQCMTOWTPBNWDB-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C6H5Cl2N/c7-4-1-2-6(9)5(8)3-4/h1-3H,9H2
IUPAC name chemrof:IUPAC_name 2,4-dichloroaniline
Molecular formula chemrof:molecular_formula C6H5Cl2N
Molecular mass chemrof:molecular_mass 162.019
Monoisotopic mass chemrof:monoisotopic_mass 160.9799, 160.979905
SMILES string chemrof:smiles_string Nc1ccc(Cl)cc1Cl

Known URLs

24

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
beilstein beilstein:386422 enrich_references.chebi_xrefs
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=554-00-7 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:46635 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.008.235 enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=0141 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID1024966 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=8756 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1528820 enrich_references.pubchem_identifier_url
gmelin gmelin:201203 enrich_references.chebi_xrefs
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/19AE42M6WS enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0245450 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.616K enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C14419 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C14419 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=52441 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/11123 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#1590 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#3442 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/17624189 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/22321051 enrich_references.chebi_xrefs
reaxys reaxys:386422 enrich_references.chebi_xrefs
umbbd.compound umbbd.compound:c0765 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q3102438 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/2,4-Dichloroaniline enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
2bd46855-789f-45d4-9d17-604d2537d34f Environmental → Air → Aircraft cruise height EF 3.1 kg 2
e8469f66-b73a-4397-9982-48d7c6e053c9 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
d37eb6e2-1d95-4d9b-bdc4-57b0e4c2c925 Environmental → Air → Indoor EF 3.1 kg 2
db1d84b1-7b94-4193-8019-aab69837cbd1 Environmental → Air → Long-term EF 3.1 kg 0
8db0be16-4e65-4e5a-980e-6d95465043dc Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
7d7db693-16aa-4d0a-a9c6-f06ef1aff1cc Environmental → Air → Unknown EF 3.1 kg 2
07795e3e-a833-4a54-bf6f-1e927aa15b81 Environmental → Ground → Agricultural EF 3.1 kg 2
c8cd041b-17c4-4ee6-b29a-53e9431bee48 Environmental → Ground → Non-agricultural EF 3.1 kg 2
19829b7d-5e31-46ed-be23-b3095dddd214 Environmental → Ground → Unknown EF 3.1 kg 2
8d3ae2a6-2cef-44ba-ba57-76affa81d630 Environmental → Water → Long-term EF 3.1 kg 0
594fbaa3-81ba-4007-b1fa-9494aef0873d Environmental → Water → Ocean EF 3.1 kg 2
5eb2fc60-b0f4-4c1b-b08a-fc570c52a9c8 Environmental → Water → Surface water EF 3.1 kg 2
3a882b7f-bb9a-4397-92a3-b44aac379c7c Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (56 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-d2a0b3ceb3d9b0f6",
  "prefLabel": [
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        "prov:wasDerivedFrom": "legacy name field"
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  ],
  "altLabel": [
    {
      "@value": "1-amino-2,4-dichlorobenzene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "2,4-DCA",
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    {
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "2,4-dichlorobenzenamine",
      "@language": "en",
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      "provenance": {
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        "prov:wasDerivedFrom": "chebi synonym match"
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    },
    {
      "@value": "Aniline, 2,4-dichloro-",
      "@language": "en",
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    },
    {
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    },
    {
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