Consensus flow list

Identity

Type
NeutralMolecule
CAS
3209-22-1
EC
221-717-7
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for 1,2-dichloro-3-nitrobenzene

Alternative labels

3

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string CMVQZRLQEOAYSW-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C6H3Cl2NO2/c7-4-2-1-3-5(6(4)8)9(10)11/h1-3H
IUPAC name chemrof:IUPAC_name 1,2-dichloro-3-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-])c1cccc(Cl)c1Cl

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=3209-22-1 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.019.743 enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=0251 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID8024997 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=60641 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL168024 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/985EWS35KG enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.176H enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/18555 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#1578 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#3077 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q2173513 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
c5729286-d7b8-4273-9816-c71399438104 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
279491e7-b571-4bcc-ab72-dec3a71661cc Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
2da58a0b-a9bf-4875-81de-fb33d7eba3b8 Environmental → Air → Indoor EF 3.1 kg 2
9dce4d28-6b00-459d-b38b-1e29e7c1dcd9 Environmental → Air → Long-term EF 3.1 kg 0
b98b7d88-4403-47c1-b4ce-2f41ed099c10 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
930f294b-e5ea-4074-9b43-bc52ca428bfc Environmental → Air → Unknown EF 3.1 kg 2
d46a230f-672f-4d5b-9119-6e078e28f9af Environmental → Ground → Agricultural EF 3.1 kg 2
9636ee08-548f-4c29-be8f-71d03a698f63 Environmental → Ground → Non-agricultural EF 3.1 kg 2
356a1be3-a261-451b-a5f1-3c1bc9eab3eb Environmental → Ground → Unknown EF 3.1 kg 2
2f096a88-d23c-4468-9fdb-88399e871b83 Environmental → Water → Long-term EF 3.1 kg 0
85613bde-a8e1-483d-9537-ca219cc0a88d Environmental → Water → Ocean EF 3.1 kg 2
d67e52fb-e2df-4b5b-a94a-ab03b94cbd84 Environmental → Water → Surface water EF 3.1 kg 2
63f05bf2-b130-48f2-a22a-1a8e79d0568b 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-f390d7ff48fd5417",
  "prefLabel": [
    {
      "@value": "1,2-dichloro-3-nitrobenzene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "bootstrap_labels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "2,3-Dichloro-1-nitrobenzene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:3209-22-1",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=3209-22-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2,3-Dichloronitrobenzene",
      "@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=3209-22-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benzene, 1,2-dichloro-3-nitro-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
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          "https://commonchemistry.cas.org/detail?cas_rn=3209-22-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
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      "@value": [
        "C6H3Cl2NO2"
      ],
      "attested_by": {
        "C6H3Cl2NO2": [
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          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "Molecular formula",
      "provenance": [
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        },
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      "rdfs:label": "SMILES",
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      "provenance": [
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        },
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      "provenance": [
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    },
    "https://w3id.org/chemrof/IUPAC_name": {
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      "rdfs:label": "IUPAC name",
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    },
    "https://w3id.org/chemrof/molecular_mass": {
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      "rdfs:label": "Molecular mass",
      "@value": [
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      "provenance": [
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          ]
        },
        {
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          "prov:hadPrimarySource": [
            "O=[N+]([O-])c1cccc(Cl)c1Cl"
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      ],
      "attested_by": {
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      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
      "@id": "https://w3id.org/chemrof/monoisotopic_mass",
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      "@value": [
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      ],
      "provenance": [
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          ]
        },
        {
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          "prov:hadPrimarySource": [
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          ]
        }
      ],
      "attested_by": {
        "190.954084": [
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        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    }
  },
  "references": [
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  "created_from": {
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  "classifications": {
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  "parent_flow_object_id": null,
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  "@type": [
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}

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