Consensus flow list

Identity

Type
NeutralMolecule
CAS
3296-90-0
EC
221-967-7
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for 2,2-bis(bromomethyl)propane-1,3-diol

Alternative labels

11

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string CHUGKEQJSLOLHL-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C5H10Br2O2/c6-1-5(2-7,3-8)4-9/h8-9H,1-4H2
IUPAC name chemrof:IUPAC_name 2,2-bis(bromomethyl)propane-1,3-diol
Molecular formula chemrof:molecular_formula C5H10Br2O2
Molecular mass chemrof:molecular_mass 261.941
Monoisotopic mass chemrof:monoisotopic_mass 259.90475, 259.904754
SMILES string chemrof:smiles_string OCC(CO)(CBr)CBr

Known URLs

16

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=3296-90-0 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:82294 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.019.971 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.288.563 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID9020164 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=9001 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1407005 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/4ZHG182S25 enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0303734 enrich_references.pubchem_identifier_url
hts.usitc.gov https://hts.usitc.gov/search?query=2905.59.30.00 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J12.967D enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C19199 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C19199 enrich_references.pubchem_identifier_url
ncithesaurus.nci.nih.gov https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C44333 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/18692 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q26841193 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
892b5418-a933-4608-b095-489a04cfeac6 Environmental → Air → Aircraft cruise height EF 3.1 kg 6
73a1d0e1-76d8-4e55-bcb2-f3c46f212983 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 6
aad9097d-c4a1-4b4c-85b9-282e1806c455 Environmental → Air → Indoor EF 3.1 kg 6
6acc552a-9f06-4ef8-b224-7a20636301e9 Environmental → Air → Long-term EF 3.1 kg 0
2b90f91b-2229-4c1a-a58a-d30046bb1468 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 6
91cfba5f-bf38-4ef0-942b-b62c3b9e6d4d Environmental → Air → Unknown EF 3.1 kg 6
559fa7f8-347b-4ca2-8c99-7e5b1df26119 Environmental → Ground → Agricultural EF 3.1 kg 6
163521b4-6c01-43ea-a8f8-a6d8b130471c Environmental → Ground → Non-agricultural EF 3.1 kg 6
859dd1b6-4d6b-4928-bdb2-5c3d42225d38 Environmental → Ground → Unknown EF 3.1 kg 6
33a8f3ee-5231-4e91-8750-10b8ea7488a6 Environmental → Water → Long-term EF 3.1 kg 0
79943035-add0-46f4-9db0-e25e151a8777 Environmental → Water → Ocean EF 3.1 kg 6
6c354e50-4df1-43bf-ae38-89c1cc859d6d Environmental → Water → Surface water EF 3.1 kg 6
f517105c-3c6a-4517-9ae3-dc76a397f1b1 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-e94e6d948a47e2df",
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        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1,3-Dibromo-2,2-bis(hydroxymethyl)propane",
      "@language": "en",
      "@lang": "en",
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    },
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    {
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      }
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    {
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    {
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    {
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