Consensus flow list

Identity

Type
Molecular complex
CAS
77098-07-8
EC
616-436-5
Origin
EF 3.1 hybrid_name_cas_v1
Changes
53 across every transformer

Structure

Structure diagram for Reaction Products Of 3,4,5,6-tetrabromobenzene-1,2-dicarboxylate With 2,2'-oxy-diethanol And 2-epoxypropane

Alternative labels

1

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string IMZKJXAYYSFTTK-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C8H2Br4O4.C4H10O3.C3H8O2/c9-3-1(7(13)14)2(8(15)16)4(10)6(12)5(3)11;5-1-3-7-4-2-6;1-3(5)2-4/h(H,13,14)(H,15,16);5-6H,1-4H2;3-5H,2H2,1H3
IUPAC name chemrof:IUPAC_name 2-(2-hydroxyethoxy)ethanol;propane-1,2-diol;3,4,5,6-tetrabromophthalic acid, 2-(2-hydroxyethyloxy)ethanol;propane-1,2-diol;3,4,5,6-tetrakis(bromanyl)phthalic acid
Molecular formula chemrof:molecular_formula C15H20Br4O9
Molecular mass chemrof:molecular_mass 663.932
Monoisotopic mass chemrof:monoisotopic_mass 659.784081
SMILES string chemrof:smiles_string CC(CO)O.C(COCCO)O.C1(=C(C(=C(C(=C1Br)Br)Br)Br)C(=O)O)C(=O)O

Known URLs

3

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=77098-07-8 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.120.756 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/160077 enrich_references.pubchem_compound

Elementary flows

13
Flow Context Source Unit CFs
29316c3b-7a3a-4b0e-9a07-06e106670cc1 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
e0fcdd1a-3054-4e41-8d07-9ee17afbaa89 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
bc126c70-35e9-480e-82ab-f2c1780df8de Environmental → Air → Indoor EF 3.1 kg 4
df93f45e-bbf0-4447-a074-4d8f942a22f2 Environmental → Air → Long-term EF 3.1 kg 0
e6cba8e3-3807-4afd-845a-4a5fc65afb72 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
566cffe9-1e86-495c-b8ee-332197ef67f6 Environmental → Air → Unknown EF 3.1 kg 4
92ee209c-c4b7-489b-946a-9623c8837af4 Environmental → Ground → Agricultural EF 3.1 kg 4
a4345542-8edf-41a3-a3c1-b4b541c524c6 Environmental → Ground → Non-agricultural EF 3.1 kg 4
5227d93e-6714-4158-9a8f-cf2286dbcc12 Environmental → Ground → Unknown EF 3.1 kg 4
6d9fc315-77f5-489a-8945-8d9650e977c1 Environmental → Water → Long-term EF 3.1 kg 0
a4a77ba4-415b-4eeb-ae87-d099ab8247cb Environmental → Water → Ocean EF 3.1 kg 4
fada8075-4c82-4e88-884b-72e1b45964ab Environmental → Water → Surface water EF 3.1 kg 4
7a62c345-3af2-460a-aa29-e54b34de0004 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (53 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-b23e1054a8b6292f",
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    {
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      "@language": "en",
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      }
    }
  ],
  "altLabel": [
    {
      "@value": "1,2-Benzenedicarboxylic acid, 3,4,5,6-tetrabromo-, mixed esters with diethylene glycol and propylene glycol",
      "@language": "en",
      "@lang": "en",
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  "properties": {
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    },
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    },
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      "attested_by": {
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    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
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  "created_from": {
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    "seed_source": "EF 3.1",
    "semantic_typing": {
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  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
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}

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