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2,6-dichloro-1,3-benzoxazole

fo-433bcb5aca6d240d

Identity

Type
Neutral molecule
CAS
3621-82-7
EC
222-818-9
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 2,6-dichloro-1,3-benzoxazole

Alternative labels

4

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string LVVQTPZQNHQLOM-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C7H3Cl2NO/c8-4-1-2-5-6(3-4)11-7(9)10-5/h1-3H
IUPAC name chemrof:IUPAC_name 2,6-dichloro-1,3-benzoxazole
Molecular formula chemrof:molecular_formula C7H3Cl2NO
Molecular mass chemrof:molecular_mass 188.013
Monoisotopic mass chemrof:monoisotopic_mass 186.959169
SMILES string chemrof:smiles_string Clc1ccc2nc(Cl)oc2c1

Known URLs

6

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=3621-82-7 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.020.745 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID60189769 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J205.548A enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/77175 enrich_references.pubchem_compound
Wikidata https://www.wikidata.org/wiki/Q72465568 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
35a4b64e-b300-40eb-97e9-5d2ed83d70a4 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
38c4fd49-6f14-4b0f-bb9e-7d3ad8920582 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
df4bd5a2-5079-46a3-b743-d7c82455e697 Environmental → Air → Indoor EF 3.1 kg 2
a518eeb8-9156-42cb-bfd6-dc1876f385b5 Environmental → Air → Long-term EF 3.1 kg 0
fad8856c-7be7-4da6-aac1-bb853fc5242c Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
27855c05-9259-47d7-a3c7-db53332325b9 Environmental → Air → Unknown EF 3.1 kg 2
356a0ab7-7779-4abc-8f22-a9b9e790de1a Environmental → Ground → Agricultural EF 3.1 kg 2
0a41e8c8-4e18-4ac5-b22e-b46e809eb5ae Environmental → Ground → Non-agricultural EF 3.1 kg 2
7b2603d6-feb0-42ea-b8a2-bbe56ba3e097 Environmental → Ground → Unknown EF 3.1 kg 2
33a5875a-438f-4a32-a366-05e3d1cabeff Environmental → Water → Long-term EF 3.1 kg 0
e97e5227-414c-4106-94e5-583da35da749 Environmental → Water → Ocean EF 3.1 kg 2
142780d9-b269-423c-a0bf-bd2aa867da72 Environmental → Water → Surface water EF 3.1 kg 2
6534d387-dc00-4e61-881a-b8f1c106fb8c 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-433bcb5aca6d240d",
  "prefLabel": [
    {
      "@value": "2,6-dichloro-1,3-benzoxazole",
      "@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": "2,6-Dichloro-1,3-benzooxazole",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=3621-82-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2,6-Dichlorobenzo[d]oxazole",
      "@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=3621-82-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2,6-Dichlorobenzoxazole",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "https://commonchemistry.cas.org/detail?cas_rn=3621-82-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benzoxazole, 2,6-dichloro-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
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      "@value": [
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        }
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    },
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      "provenance": [
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    },
    "https://w3id.org/chemrof/inchi2d_string": {
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      "rdfs:label": "InChI",
      "@value": [
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      ],
      "provenance": [
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          "prov:hadPrimarySource": [
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      ],
      "attested_by": {
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      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
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      ],
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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    },
    "https://w3id.org/chemrof/molecular_mass": {
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      "provenance": [
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          "prov:hadPrimarySource": [
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          ]
        },
        {
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          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
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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:hadPrimarySource": [
            "C1=CC2=C(C=C1Cl)OC(=N2)Cl"
          ]
        },
        {
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          "prov:hadPrimarySource": [
            "Clc1ccc2nc(Cl)oc2c1"
          ]
        }
      ],
      "attested_by": {
        "186.959169": [
          "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=J205.548A",
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      "provenance": {
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        "prov:wasDerivedFrom": "pubchem.identifiers[3621-82-7]"
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  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "0a41e8c8-4e18-4ac5-b22e-b46e809eb5ae",
    "seed_source": "EF 3.1",
    "semantic_typing": {
      "rule": "neutral_molecule",
      "reason": "",
      "types": [
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      ],
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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    }
  },
  "classifications": {
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      "@value": [
        "3621-82-7"
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      "rdfs:seeAlso": [
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      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
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        "prov:wasDerivedFrom": "ec_numbers"
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  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
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  ]
}

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