Brightway Flows 1.0
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3-chloroanisole

fo-ac1c0d729db10ace

Identity

Type
Neutral molecule
CAS
2845-89-8
EC
220-642-7
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for 3-chloroanisole

Alternative labels

11

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string YUKILTJWFRTXGB-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C7H7ClO/c1-9-7-4-2-3-6(8)5-7/h2-5H,1H3
IUPAC name chemrof:IUPAC_name 3-chloroanisole
Molecular formula chemrof:molecular_formula C7H7ClO
Molecular mass chemrof:molecular_mass 142.585
Monoisotopic mass chemrof:monoisotopic_mass 142.018543
SMILES string chemrof:smiles_string COc1cccc(Cl)c1

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=2845-89-8 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.018.766 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID7062667 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/HQ8W659XSK enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J5.167E enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/17833 enrich_references.pubchem_compound
Wikidata https://www.wikidata.org/wiki/Q72517046 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
adcce3f5-577c-42bf-9008-62ca67224610 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
2364dc32-ccd1-48cf-b70d-81de97108a08 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
a5bd776c-e689-4aa2-a61c-79deee54043d Environmental → Air → Indoor EF 3.1 kg 2
24edc81e-8dce-4688-9d1f-b1b82eb3fa49 Environmental → Air → Long-term EF 3.1 kg 0
94f36956-b2e2-4ee1-940d-226a93295841 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
1f56d82a-7fad-4326-8871-70f8b511c324 Environmental → Air → Unknown EF 3.1 kg 2
69f90b06-7b00-40e9-88f4-7433a950eff7 Environmental → Ground → Agricultural EF 3.1 kg 2
a0743105-5aeb-4631-8f67-5f12012c7811 Environmental → Ground → Non-agricultural EF 3.1 kg 2
343438f5-0afb-4cc4-91a3-974612f44f58 Environmental → Ground → Unknown EF 3.1 kg 2
448860b7-8263-4ea6-844f-309017919909 Environmental → Water → Long-term EF 3.1 kg 0
a6b48837-8a00-4376-8b33-b1fd66bdc1af Environmental → Water → Ocean EF 3.1 kg 2
2c862e49-f72b-4a51-b6a5-a9825a3ca7ee Environmental → Water → Surface water EF 3.1 kg 2
5b2c136c-0adb-4b4b-a37c-959bd69109d0 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-ac1c0d729db10ace",
  "prefLabel": [
    {
      "@value": "3-chloroanisole",
      "@language": "en",
      "@lang": "en",
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        ],
        "prov:wasDerivedFrom": "legacy name field"
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    }
  ],
  "altLabel": [
    {
      "@value": "1-Chloro-3-methoxybenzene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "3-Chloroanisol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "3-Chloromethoxybenzene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "3-Methoxychlorobenzene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "3-Methoxyphenyl chloride",
      "@language": "en",
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      "provenance": {
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        ],
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      }
    },
    {
      "@value": "4-Chloro-2-methoxybenzene",
      "@language": "en",
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    },
    {
      "@value": "Anisole, m-chloro-",
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    },
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      "@value": "Benzene, 1-chloro-3-methoxy-",
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    {
      "@value": "m-Chloroanisole",
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    },
    {
      "@value": "m-Chlorophenyl methyl ether",
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}

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