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2,3,4'-trichlorobiphenyl

fo-916df213e903b663

Identity

Type
Neutral molecule
CAS
38444-85-8
EC
—
Origin
EF 3.1 hybrid_name_cas_v1
Changes
53 across every transformer

Structure

Structure diagram for 2,3,4'-trichlorobiphenyl

Alternative labels

6

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string ZMHWQAHZKUPENF-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C12H7Cl3/c13-9-6-4-8(5-7-9)10-2-1-3-11(14)12(10)15/h1-7H
IUPAC name chemrof:IUPAC_name 2,3,4'-trichlorobiphenyl
Molecular formula chemrof:molecular_formula C12H7Cl3
Molecular mass chemrof:molecular_mass 257.547
Monoisotopic mass chemrof:monoisotopic_mass 255.961333
SMILES string chemrof:smiles_string Clc1ccc(-c2cccc(Cl)c2Cl)cc1

Known URLs

7

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=38444-85-8 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.217.301 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID7091549 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/1GT5EC8H71 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J488.465E enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/38035 enrich_references.pubchem_compound
Wikidata https://www.wikidata.org/wiki/Q27252399 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
c6a52ead-d8bc-4908-811e-6919940aa701 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
b24ca6a6-5f0c-4900-992b-6d35663abe4a Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
11b8768d-263f-4ce8-9dc7-a6a0c278a346 Environmental → Air → Indoor EF 3.1 kg 2
f4370d22-2d67-42ac-ba5d-f22d362119a0 Environmental → Air → Long-term EF 3.1 kg 0
c3dbc27c-5fd7-4247-bad6-638463cbb530 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
9b71d011-a636-4518-8c3a-b6dbdd6c6b54 Environmental → Air → Unknown EF 3.1 kg 2
70e50897-b621-4213-bf8a-a9cddfe7f689 Environmental → Ground → Agricultural EF 3.1 kg 2
97ca819f-20e9-4049-8ba8-c6e4f9a46093 Environmental → Ground → Non-agricultural EF 3.1 kg 2
3fccba63-e9eb-4f85-b38f-4cefdd25bd6e Environmental → Ground → Unknown EF 3.1 kg 2
f45432e2-62b6-4b14-8d80-13a2e27315a5 Environmental → Water → Long-term EF 3.1 kg 0
2836c1d2-c053-4ddc-b33e-9d249f18b79c Environmental → Water → Ocean EF 3.1 kg 2
ce6be90f-11e9-4b27-a526-28f50db7ec64 Environmental → Water → Surface water EF 3.1 kg 2
0e8d4ba4-1d3d-4a61-8f0f-1b6164a569f7 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (53 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-916df213e903b663",
  "prefLabel": [
    {
      "@value": "2,3,4'-trichlorobiphenyl",
      "@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": "1,1′-Biphenyl, 2,3,4′-trichloro-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:38444-85-8",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=38444-85-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2,3,4′-Trichloro-1,1′-biphenyl",
      "@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=38444-85-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2,3,4′-Trichlorobiphenyl",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:hadPrimarySource": [
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          "https://commonchemistry.cas.org/detail?cas_rn=38444-85-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4,2′,3′-Trichlorobiphenyl",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Biphenyl, 2,3,4′-trichloro-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "PCB 22",
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      }
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  ],
  "properties": {
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        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
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      "rdfs:label": "SMILES",
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      ],
      "provenance": [
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    },
    "https://w3id.org/chemrof/inchi2d_string": {
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    },
    "https://w3id.org/chemrof/IUPAC_name": {
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      "rdfs:label": "IUPAC name",
      "@value": [
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      ],
      "provenance": {
        "prov:wasGeneratedBy": "opsin_iupac",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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    },
    "https://w3id.org/chemrof/molecular_mass": {
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      "rdfs:label": "Molecular mass",
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      "provenance": [
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          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C1=CC(=C(C(=C1)Cl)Cl)C2=CC=C(C=C2)Cl"
          ]
        },
        {
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          "prov:hadPrimarySource": [
            "Clc1ccc(-c2cccc(Cl)c2Cl)cc1"
          ]
        }
      ],
      "attested_by": {
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      },
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    },
    "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:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
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          ]
        },
        {
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          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Clc1ccc(-c2cccc(Cl)c2Cl)cc1"
          ]
        }
      ],
      "attested_by": {
        "255.961333": [
          "rdkit_post_consensus",
          "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=J488.465E",
      "provenance": {
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        "prov:wasDerivedFrom": "pubchem.identifiers[38444-85-8]"
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    },
    {
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    {
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  "created_from": {
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    "seed_uuid": "0e8d4ba4-1d3d-4a61-8f0f-1b6164a569f7",
    "seed_source": "EF 3.1",
    "semantic_typing": {
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      "types": [
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      "provenance": {
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  "classifications": {
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      "rdfs:seeAlso": [
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  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ]
}

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