Consensus flow list

Identity

Type
NeutralMolecule
CAS
72-56-0
EC
200-785-1
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for 1,1-dichloro-2,2-bis(4-ethylphenyl)ethane

Alternative labels

14

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string QFMDFTQOJHFVNR-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C18H20Cl2/c1-3-13-5-9-15(10-6-13)17(18(19)20)16-11-7-14(4-2)8-12-16/h5-12,17-18H,3-4H2,1-2H3
IUPAC name chemrof:IUPAC_name 1,1-dichloro-2,2-bis(4-ethylphenyl)ethane
Molecular formula chemrof:molecular_formula C18H20Cl2
Molecular mass chemrof:molecular_mass 307.264
Monoisotopic mass chemrof:monoisotopic_mass 306.094206
SMILES string chemrof:smiles_string CCc1ccc(C(c2ccc(CC)cc2)C(Cl)Cl)cc1

Known URLs

9

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=72-56-0 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.000.714 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID4020589 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL551883 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/L0Q9DRK4W8 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J5.251E enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/6295 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#2761 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q21495322 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
c710cb79-8872-410d-a101-28ca60ec5a28 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
65d5102b-9f0c-4c37-a394-11f01ec6d41f Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
b5733dc8-ffd9-4c1b-8356-199558bac478 Environmental → Air → Indoor EF 3.1 kg 2
e7933788-54c0-485a-91ef-40a751156636 Environmental → Air → Long-term EF 3.1 kg 0
c530a300-2559-4142-9110-1796ba8808d2 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
ebb96289-2bb9-4b3e-8df8-b8bcd786fa94 Environmental → Air → Unknown EF 3.1 kg 2
0de3a8ee-07e6-4252-bf62-b2fe4a954842 Environmental → Ground → Agricultural EF 3.1 kg 2
bf96e631-75a1-46de-8843-c812d15dfcf1 Environmental → Ground → Non-agricultural EF 3.1 kg 2
6b02609b-4915-4501-99b3-90d5ea4b00de Environmental → Ground → Unknown EF 3.1 kg 2
19741999-33a1-456e-984e-96f3fae4f08d Environmental → Water → Long-term EF 3.1 kg 0
a63d91f4-1439-4a9b-b402-f7ab0bb36a29 Environmental → Water → Ocean EF 3.1 kg 2
86631427-61d6-450d-a289-45e2121699a7 Environmental → Water → Surface water EF 3.1 kg 2
813bb9a4-646a-474e-82a5-63f146585fd5 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-33d840b9fe0cd2cb",
  "prefLabel": [
    {
      "@value": "1,1-dichloro-2,2-bis(4-ethylphenyl)ethane",
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        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1,1-Bis(p-ethylphenyl)-2,2-dichloroethane",
      "@language": "en",
      "@lang": "en",
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    },
    {
      "@value": "1,1′-(2,2-Dichloroethylidene)bis[4-ethylbenzene]",
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    },
    {
      "@value": "1-[2,2-Dichloro-1-(4-ethylphenyl)ethyl]-4-ethylbenzene",
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      "@value": "Di(p-ethylphenyl)dichloroethane",
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    },
    {
      "@value": "p,p′-Perthane",
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    "https://w3id.org/chemrof/inchi2d_key_string": {
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        "prov:wasDerivedFrom": "semantic_typing.rule.neutral_molecule"
      }
    }
  },
  "classifications": {
    "http://semanticscience.org/resource/CHEMINF_000446": {
      "@value": [
        "72-56-0"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=72-56-0"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
        {
          "@id": "https://commonchemistry.cas.org/detail?cas_rn=72-56-0"
        }
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    "http://semanticscience.org/resource/CHEMINF_000447": {
      "@value": [
        "200-785-1"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=200-785-1"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "ec_numbers"
      }
    }
  },
  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ]
}

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