Consensus flow list

Identity

Type
NeutralMolecule
CAS
96-12-8
EC
202-479-3
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for 1,2-dibromo-3-chloropropane

Alternative labels

14

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string WBEJYOJJBDISQU-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C3H5Br2Cl/c4-1-3(5)2-6/h3H,1-2H2
IUPAC name chemrof:IUPAC_name 1,2-dibromo-3-chloropropane
Molecular formula chemrof:molecular_formula C3H5Br2Cl
Molecular mass chemrof:molecular_mass 236.334
Monoisotopic mass chemrof:monoisotopic_mass 233.84465, 233.844652
SMILES string chemrof:smiles_string ClCC(Br)CBr

Known URLs

19

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=67708-83-2 enrich_references.pubchem_identifier_url
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=96-12-8 enrich_references.chebi_xrefs
cdc.gov https://www.cdc.gov/niosh-rtecs/TX8583B0.html enrich_references.pubchem_identifier_url
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:34044 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.002.255 enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=0002 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID3020413 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=1512 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1331743 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/96K0FD4803 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J359J enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C14336 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C14336 enrich_references.pubchem_identifier_url
ncithesaurus.nci.nih.gov https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C44372 enrich_references.pubchem_identifier_url
ppdb ppdb:1441 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/7280 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#2872 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q161465 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/1,2-Dibromo-3-chloropropane enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
e2fb5305-6555-11dd-ad8b-0800200c9a66 Environmental → Air → Aircraft cruise height EF 3.1 kg 6
fe0acd60-3ddc-11dd-a0d5-0050c2490048 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 6
456d8cc7-fefb-4339-8115-8e71ebbbeba8 Environmental → Air → Indoor EF 3.1 kg 6
fe0acd60-3ddc-11dd-a0d4-0050c2490048 Environmental → Air → Long-term EF 3.1 kg 0
fe0acd60-3ddc-11dd-a0d6-0050c2490048 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 6
fe0acd60-3ddc-11dd-a0d3-0050c2490048 Environmental → Air → Unknown EF 3.1 kg 6
fe0acd60-3ddc-11dd-a0d1-0050c2490048 Environmental → Ground → Agricultural EF 3.1 kg 6
4d9a8790-3ddd-11dd-95f2-0050c2490048 Environmental → Ground → Non-agricultural EF 3.1 kg 6
fe0acd60-3ddc-11dd-a0d2-0050c2490048 Environmental → Ground → Unknown EF 3.1 kg 6
fe0acd60-3ddc-11dd-a0d8-0050c2490048 Environmental → Water → Long-term EF 3.1 kg 0
4d9a8790-3ddd-11dd-95f3-0050c2490048 Environmental → Water → Ocean EF 3.1 kg 6
fe0acd60-3ddc-11dd-a0d7-0050c2490048 Environmental → Water → Surface water EF 3.1 kg 6
fe0acd60-3ddc-11dd-a0d9-0050c2490048 Environmental → Water → Unknown EF 3.1 kg 6

History

Everything that changed this substance (56 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-625d7487d0b7738e",
  "prefLabel": [
    {
      "@value": "1,2-dibromo-3-chloropropane",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1-Chloro-2,3-dibromopropane",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "3-Chloro-1,2-dibromopropane",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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    },
    {
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Dibromochloropropane",
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