Consensus flow list

Identity

Type
Neutral molecule
CAS
609-89-2
EC
210-202-2
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for 2,4-dichloro-6-nitrophenol

Alternative labels

3

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string LYPMXMBQPXPNIQ-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C6H3Cl2NO3/c7-3-1-4(8)6(10)5(2-3)9(11)12/h1-2,10H
IUPAC name chemrof:IUPAC_name 2,4-dichloro-6-nitrophenol
Molecular formula chemrof:molecular_formula C6H3Cl2NO3
Molecular mass chemrof:molecular_mass 208.0
Monoisotopic mass chemrof:monoisotopic_mass 206.948998
SMILES string chemrof:smiles_string O=[N+]([O-])c1cc(Cl)cc(Cl)c1O

Known URLs

8

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=609-89-2 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.009.276 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID00209738 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=38660 enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0245449 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.079F enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/11871 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q72467092 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
6f0dc406-ecca-444e-b3a9-22a8ef7cc8e5 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
6ad8e5d6-bfd3-43be-bfd3-fd87e29bc67b Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
82a0d2b6-724e-45bf-90b4-c38860414971 Environmental → Air → Indoor EF 3.1 kg 2
a4300a71-95ae-488e-b8e9-5a924ffcfce6 Environmental → Air → Long-term EF 3.1 kg 0
1cbe1dea-0503-4ea6-85a7-e3083a8f6019 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
e0aa99f9-bc30-4537-a40e-fac99898adcf Environmental → Air → Unknown EF 3.1 kg 2
6b13123c-8090-4f4f-9ce5-d0fac1d436a2 Environmental → Ground → Agricultural EF 3.1 kg 2
af0cd0b0-f11c-4a3a-bcb6-03e8b6d4f663 Environmental → Ground → Non-agricultural EF 3.1 kg 2
e3e254d3-c0de-4442-8fbe-a1a53199f7c6 Environmental → Ground → Unknown EF 3.1 kg 2
52229aff-e632-4e71-a10d-3878c36020d2 Environmental → Water → Long-term EF 3.1 kg 0
8fbd7197-ae0e-44eb-9379-af301a83ae8a Environmental → Water → Ocean EF 3.1 kg 2
0db997df-d044-4e4f-89bf-c9cb55c685d1 Environmental → Water → Surface water EF 3.1 kg 2
c82126b4-6781-4231-bbfa-deb0ea30cea3 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-d0a2c1deefb09fac",
  "prefLabel": [
    {
      "@value": "2,4-dichloro-6-nitrophenol",
      "@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-Nitro-4,6-dichlorophenol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:609-89-2",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=609-89-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4,6-Dichloro-2-nitrophenol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=609-89-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Phenol, 2,4-dichloro-6-nitro-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
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      "@value": [
        "C6H3Cl2NO3"
      ],
      "attested_by": {
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    "https://w3id.org/chemrof/inchi2d_key_string": {
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      "rdfs:label": "SMILES",
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      "provenance": [
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    },
    "https://w3id.org/chemrof/IUPAC_name": {
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      "provenance": {
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      },
      "attested_by": {
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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:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "O=[N+]([O-])c1cc(Cl)cc(Cl)c1O"
          ]
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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",
      "rdfs:label": "Monoisotopic mass",
      "@value": [
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      ],
      "provenance": [
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          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "O=[N+]([O-])c1cc(Cl)cc(Cl)c1O"
          ]
        }
      ],
      "attested_by": {
        "206.948998": [
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          "rdkit_pre_consensus"
        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    }
  },
  "references": [
    {
      "@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.079F",
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  "created_from": {
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    "seed_uuid": "0db997df-d044-4e4f-89bf-c9cb55c685d1",
    "seed_source": "EF 3.1",
    "semantic_typing": {
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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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