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1-[2-chloro-4-(4-chlorophenoxy)phenyl]ethanone

fo-d414dab13b3455f2

Identity

Type
Neutral molecule
CAS
119851-28-4
EC
601-639-3
Origin
EF 3.1 hybrid_name_cas_v1
Changes
53 across every transformer

Structure

Structure diagram for 1-[2-chloro-4-(4-chlorophenoxy)phenyl]ethanone

Alternative labels

3

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string BDTJIVUVQRVLLJ-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C14H10Cl2O2/c1-9(17)13-7-6-12(8-14(13)16)18-11-4-2-10(15)3-5-11/h2-8H,1H3
IUPAC name chemrof:IUPAC_name 1-[2-chloro-4-(4-chlorophenoxy)phenyl]ethanone
Molecular formula chemrof:molecular_formula C14H10Cl2O2
Molecular mass chemrof:molecular_mass 281.138
Monoisotopic mass chemrof:monoisotopic_mass 280.005785
SMILES string chemrof:smiles_string CC(=O)c1ccc(Oc2ccc(Cl)cc2)cc1Cl

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=119851-28-4 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.122.224 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID20350372 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.651.268I enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/677479 enrich_references.pubchem_compound
Wikidata https://www.wikidata.org/wiki/Q72517800 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
538ff59a-e309-4985-8221-248da9577ffa Environmental → Air → Aircraft cruise height EF 3.1 kg 2
e8a0489c-0d95-4ab6-ad50-66a0b351b82e Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
12150684-dfd1-423b-870e-bbe23ac84085 Environmental → Air → Indoor EF 3.1 kg 2
db151bef-b5c3-4828-82d0-91add09bcdbb Environmental → Air → Long-term EF 3.1 kg 0
509055cf-5703-4fda-83e1-847b2327c7d7 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
fa7e789d-0c5b-4088-8855-2cb28a8a2a93 Environmental → Air → Unknown EF 3.1 kg 2
2fcfd4cf-bf69-4f40-b7c5-1deee096f9d2 Environmental → Ground → Agricultural EF 3.1 kg 2
c0b0e1e5-632d-4715-ab6c-bc289288505a Environmental → Ground → Non-agricultural EF 3.1 kg 2
a7991bbe-2603-49c5-b34c-33bb865ee1ec Environmental → Ground → Unknown EF 3.1 kg 2
24ef70f7-fb36-438e-8a50-9e90c57d74d1 Environmental → Water → Long-term EF 3.1 kg 0
0b93600f-f2a6-42dc-b241-c8e3a94fee00 Environmental → Water → Ocean EF 3.1 kg 2
806809ed-97a2-4ac6-97f0-23d57d9ae850 Environmental → Water → Surface water EF 3.1 kg 2
44684b71-25e2-48c5-8a22-8a138096c49c 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-d414dab13b3455f2",
  "prefLabel": [
    {
      "@value": "1-[2-chloro-4-(4-chlorophenoxy)phenyl]ethanone",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1-[2-Chloro-4-(4-chlorophenoxy)phenyl]ethan-1-one",
      "@language": "en",
      "@lang": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-Chloro-4-(4-chlorophenoxy)acetophenone",
      "@language": "en",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Ethanone, 1-[2-chloro-4-(4-chlorophenoxy)phenyl]-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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      ],
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    },
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      "attested_by": {
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      },
      "attested_by": {
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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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      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
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      "rdfs:label": "Monoisotopic mass",
      "@value": [
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      ],
      "provenance": [
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        },
        {
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          "prov:hadPrimarySource": [
            "CC(=O)c1ccc(Oc2ccc(Cl)cc2)cc1Cl"
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      ],
      "attested_by": {
        "280.005785": [
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        ]
      },
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    }
  },
  "references": [
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    {
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        "prov:wasDerivedFrom": "pubchem.identifiers[119851-28-4]"
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  ],
  "created_from": {
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    "seed_uuid": "0b93600f-f2a6-42dc-b241-c8e3a94fee00",
    "seed_source": "EF 3.1",
    "semantic_typing": {
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      "reason": "",
      "types": [
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      ],
      "provenance": {
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  },
  "classifications": {
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      "@value": [
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  "@type": [
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  ]
}

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