Brightway Flows 1.0
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Isobenzan

fo-f8b09df2347e8fcd

Identity

Type
Neutral molecule
CAS
297-78-9
EC
206-045-4
Origin
EF 3.1 hybrid_name_cas_v1
Changes
57 across every transformer

Structure

Structure diagram for Isobenzan

Alternative labels

9

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string LRWHHSXTGZSMSN-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C9H4Cl8O/c10-3-4(11)8(15)2-1(5(12)18-6(2)13)7(3,14)9(8,16)17/h1-2,5-6H
IUPAC name chemrof:IUPAC_name 1,3,4,5,6,7,8,8-Octachloro-1,3,3a,4,7,7a-hexahydro-4,7-methanoisobenzofuran
Molecular formula chemrof:molecular_formula C9H4Cl8O
Molecular mass chemrof:molecular_mass 411.754
Monoisotopic mass chemrof:monoisotopic_mass 407.777036, 407.77704
SMILES string chemrof:smiles_string ClC1=C(Cl)C2(Cl)C3C(Cl)OC(Cl)C3C1(Cl)C2(Cl)Cl

Known URLs

13

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=297-78-9 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:82099 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.005.497 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID3021306 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/8IAN133486 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.571B enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C18960 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C18960 enrich_references.pubchem_identifier_url
ppdb ppdb:1277 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/9271 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#2761 enrich_references.pubchem_identifier_url
Wikidata https://www.wikidata.org/wiki/Q6085351 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Isobenzan enrich_references.pubchem_identifier_url

Elementary flows

14
Flow Context Source Unit CFs
50b681b9-aaa5-4909-a26e-ad0c4368b310 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
aaf4c888-986d-4d12-9169-490a91c4e5bb Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
86db557f-25cd-4bf7-ab2a-ae2825bc9182 Environmental → Air → Indoor EF 3.1 kg 2
e78b3c08-b845-48c0-b4eb-b7dd4fc4dc55 Environmental → Air → Long-term EF 3.1 kg 0
4b35ac4c-b7f7-4bbe-b8b9-2180096cf993 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
51b2230d-4a54-474f-99e9-38e722643348 Environmental → Air → Unknown EF 3.1 kg 2
c61de8eb-13ff-42a8-b499-87e03d2f4f83 Environmental → Ground → Agricultural EF 3.1 kg 2
34415c34-346a-49e3-bb98-04477400880e Environmental → Ground → Non-agricultural EF 3.1 kg 2
5dc402cab37c75e24046ceee63c0f0ddd52ad38d Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
8fc14511-d2cc-414b-9edd-e0a059ae1a9f Environmental → Ground → Unknown EF 3.1 kg 2
00dc0838-1917-4c02-a11f-5fd0930777ec Environmental → Water → Long-term EF 3.1 kg 0
6ddaedb3-1fbf-42c7-8cee-7eac7cd37100 Environmental → Water → Ocean EF 3.1 kg 2
bb71fe3a-c450-457f-aabc-853e1b008dd1 Environmental → Water → Surface water EF 3.1 kg 2
eaf44436-7401-446e-aa12-d35bed216d53 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (57 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-f8b09df2347e8fcd",
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    {
      "@value": "Isobenzan",
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  "altLabel": [
    {
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    {
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}

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You do not need to run a build or clone anything. Name the record and say what your evidence is; the measurement is done for you. How contributing works

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