Consensus flow list

Identity

Type
NeutralMolecule
CAS
611-06-3
EC
210-248-3
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for 1,3-dichloro-4-nitrobenzene

Alternative labels

4

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string QUIMTLZDMCNYGY-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C6H3Cl2NO2/c7-4-1-2-6(9(10)11)5(8)3-4/h1-3H
IUPAC name chemrof:IUPAC_name 1,3-dichloro-4-nitrobenzene
Molecular formula chemrof:molecular_formula C6H3Cl2NO2
Molecular mass chemrof:molecular_mass 192.001
Monoisotopic mass chemrof:monoisotopic_mass 190.954084
SMILES string chemrof:smiles_string O=[N+]([O-])c1ccc(Cl)cc1Cl

Known URLs

11

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=611-06-3 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.009.318 enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=0252 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID3024998 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=43196 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL166050 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/85P1A896RR enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.081H enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/11899 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/Q2705544 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
857c053a-98d8-457e-9af2-c00e8307d251 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
081fb28b-2990-4bcb-a961-15aaf50a446f Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
c1bbce94-3bc0-43c3-b492-3bcc42e08737 Environmental → Air → Indoor EF 3.1 kg 2
8f2fadc9-fc35-4e9a-8157-abf6dc4628f5 Environmental → Air → Long-term EF 3.1 kg 0
ec306726-19be-480a-927f-26fc2e867cb2 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
fea1d240-88ae-480a-b61c-e17ee3a34305 Environmental → Air → Unknown EF 3.1 kg 2
964873a8-6725-4629-ae65-1c0deb707ae7 Environmental → Ground → Agricultural EF 3.1 kg 2
33265f5e-4d9b-4d76-8c8f-8d643c84e474 Environmental → Ground → Non-agricultural EF 3.1 kg 2
d83a0e6f-7f68-43d0-9a25-e1b042063ed4 Environmental → Ground → Unknown EF 3.1 kg 2
1a720964-e97d-4cf5-ba72-b631d5426cc9 Environmental → Water → Long-term EF 3.1 kg 0
502872a9-42f5-4f9f-b507-1824e8f1686d Environmental → Water → Ocean EF 3.1 kg 2
5ba67a00-25d8-4ac9-9d81-bd6d05bd4f52 Environmental → Water → Surface water EF 3.1 kg 2
c0e850b8-2d8f-40bd-ba6d-94374f248b9b 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-83456b98fafcbcaf",
  "prefLabel": [
    {
      "@value": "1,3-dichloro-4-nitrobenzene",
      "@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": "2,4-Dichloro-1-nitrobenzene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=611-06-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2,4-Dichloronitrobenzene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4-Nitro-1,3-dichlorobenzene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benzene, 2,4-dichloro-1-nitro-",
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    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
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}

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