Consensus flow list

Identity

Type
Neutral molecule
CAS
6271-80-3
EC
613-073-4
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 4'-chloro-2-nitrobiphenyl

Alternative labels

6

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string OMNWKPZIFZJANV-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C12H8ClNO2/c13-10-7-5-9(6-8-10)11-3-1-2-4-12(11)14(15)16/h1-8H
IUPAC name chemrof:IUPAC_name 4'-chloro-2-nitrobiphenyl
Molecular formula chemrof:molecular_formula C12H8ClNO2
Molecular mass chemrof:molecular_mass 233.654
Monoisotopic mass chemrof:monoisotopic_mass 233.024356
SMILES string chemrof:smiles_string O=[N+]([O-])c1ccccc1-c1ccc(Cl)cc1

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=6271-80-3 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.112.760 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID30284391 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=37064 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/4776X3QD3U enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.027.192B enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/235549 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q82019319 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
50e47da4-b0dc-4f74-918f-2f08c5b68858 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
9dcaa630-d6b1-495b-b061-b0a5601aa298 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
6986efd7-68b8-44c7-a92a-349bf09b4bc8 Environmental → Air → Indoor EF 3.1 kg 2
19345e89-c3c8-4a76-8d2d-b0b544801ffa Environmental → Air → Long-term EF 3.1 kg 0
61aa860f-33b3-41e5-bd7f-6fbf13a12efc Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
7ed640e2-3c9e-4362-bdbe-a342aac71192 Environmental → Air → Unknown EF 3.1 kg 2
11ed0aa9-2428-4f8d-ac6c-6c5688a8f12c Environmental → Ground → Agricultural EF 3.1 kg 2
f8de669b-000a-4b35-872a-14bcad7b6c97 Environmental → Ground → Non-agricultural EF 3.1 kg 2
74744337-1822-43ab-b3fa-b0e9b5adaed2 Environmental → Ground → Unknown EF 3.1 kg 2
4c4f7dae-daba-4604-9d8b-2eac95c86b66 Environmental → Water → Long-term EF 3.1 kg 0
cf57e805-0f03-481d-adf8-a4205c998111 Environmental → Water → Ocean EF 3.1 kg 2
23f26691-11b7-4717-95a7-abe3583a56ff Environmental → Water → Surface water EF 3.1 kg 2
888f0243-e3e0-4f70-b074-3deccc6162bb Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (54 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-c8db2e13b2cb1c73",
  "prefLabel": [
    {
      "@value": "4'-chloro-2-nitrobiphenyl",
      "@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, 4′-chloro-2-nitro-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:6271-80-3",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=6271-80-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1-(4-Chlorophenyl)-2-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=6271-80-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-(4-Chlorophenyl)-1-nitrobenzene",
      "@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=6271-80-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4-Chloro-2′-nitrobiphenyl",
      "@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=6271-80-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4′-Chloro-2-nitro-1,1′-biphenyl",
      "@language": "en",
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      "provenance": {
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    },
    {
      "@value": "Biphenyl, 4′-chloro-2-nitro-",
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    "https://w3id.org/chemrof/inchi2d_string": {
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    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
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    "https://w3id.org/chemrof/molecular_mass": {
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      "rdfs:label": "Molecular mass",
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      ],
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          "prov:hadPrimarySource": [
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          ]
        },
        {
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    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
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      },
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  "references": [
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}

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