Consensus flow list

Identity

Type
NeutralMolecule
CAS
78-99-9
EC
201-165-3
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 1,1-dichloropropane

Alternative labels

3

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string WIHMGGWNMISDNJ-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C3H6Cl2/c1-2-3(4)5/h3H,2H2,1H3
IUPAC name chemrof:IUPAC_name 1,1-dichloropropane
Molecular formula chemrof:molecular_formula C3H6Cl2
Molecular mass chemrof:molecular_mass 112.987
Monoisotopic mass chemrof:monoisotopic_mass 111.984656
SMILES string chemrof:smiles_string CCC(Cl)Cl

Known URLs

11

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=78-99-9 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.001.060 enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=0723 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID9058818 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL2287704 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/SR71OVZ2OZ enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J4.226I enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/6573 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#1992 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#1993 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q2715351 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
38410e90-218a-4e4a-8d53-753f4dedc3e3 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
02fa3f5d-6ed6-419f-a0c1-de0144f8c00c Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
b0761096-6476-44e4-a021-ab741a9ae521 Environmental → Air → Indoor EF 3.1 kg 2
1ca9cf09-ec69-4ca4-ad1f-e317c48eebbd Environmental → Air → Long-term EF 3.1 kg 0
dce627a9-0589-4d63-93e6-528d8e405202 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
5023c2af-175c-4cc3-a557-fb8a3776172a Environmental → Air → Unknown EF 3.1 kg 2
16baadd1-917c-4dfa-8807-2a7ed1e243ae Environmental → Ground → Agricultural EF 3.1 kg 2
3c1076f0-771c-44f3-8187-fc1e000feea4 Environmental → Ground → Non-agricultural EF 3.1 kg 2
d7f7331d-355e-44c6-988b-3dbb4b61efbb Environmental → Ground → Unknown EF 3.1 kg 2
d160e6f1-b2f7-4b54-981a-6dde2f297fbc Environmental → Water → Long-term EF 3.1 kg 0
78ba5d5b-dc7f-4e4e-ae40-ba3248f688b4 Environmental → Water → Ocean EF 3.1 kg 2
cf7fdc5b-1137-4d57-af48-9df5e6c343db Environmental → Water → Surface water EF 3.1 kg 2
9fc50917-25f0-4a1f-9ca1-be37cb234b4a 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-4d7f7159564913a9",
  "prefLabel": [
    {
      "@value": "1,1-dichloropropane",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "Propane, 1,1-dichloro-",
      "@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=78-99-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Propylidene chloride",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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    },
    {
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
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  "properties": {
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      "provenance": [
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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": {
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      "@value": [
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      ],
      "attested_by": {
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      },
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    }
  },
  "references": [
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}

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