Consensus flow list

Identity

Type
NeutralMolecule
CAS
18600-59-4
EC
418-280-1
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 2,2'-(1,4-phenylene)bis-(4h-3,1-benzoxazin-4-one)

Alternative labels

18

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string BBITXNWQALLODC-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C22H12N2O4/c25-21-15-5-1-3-7-17(15)23-19(27-21)13-9-11-14(12-10-13)20-24-18-8-4-2-6-16(18)22(26)28-20/h1-12H
IUPAC name chemrof:IUPAC_name 2,2'-(1,4-phenylene)bis-(4h-3,1-benzoxazin-4-one)
Molecular formula chemrof:molecular_formula C22H12N2O4
Molecular mass chemrof:molecular_mass 368.348
Monoisotopic mass chemrof:monoisotopic_mass 368.079707
SMILES string chemrof:smiles_string O=c1oc(-c2ccc(-c3nc4ccccc4c(=O)o3)cc2)nc2ccccc12

Known URLs

8

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=18600-59-4 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.101.710 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.167.999 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID40864845 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/8V348NL4QK enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J42.313K enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/3098422 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27271051 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
8321f1b9-594e-4358-8cb2-3a3d11e32361 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
fc60c968-462b-47a2-9313-4272699e2222 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
8582aeb1-68d0-432a-9f96-8248f6cc87aa Environmental → Air → Indoor EF 3.1 kg 4
d36349b6-75cc-44e8-9bd7-a4e7cf652910 Environmental → Air → Long-term EF 3.1 kg 0
f1eebddf-9a34-427d-b036-7b9b62107d21 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
9e70775c-6b17-48fe-a2a5-fb4ca0b57ac1 Environmental → Air → Unknown EF 3.1 kg 4
a4921e20-eeb4-4acf-8179-155cd2dd4b4d Environmental → Ground → Agricultural EF 3.1 kg 4
6f13b00f-c6da-4845-977f-4ebc74cbfebb Environmental → Ground → Non-agricultural EF 3.1 kg 4
028740ff-5dbc-4c4f-94e3-7a6797af9437 Environmental → Ground → Unknown EF 3.1 kg 4
a4c142b7-a7c7-4d0e-b4b6-4cb7f3c1beef Environmental → Water → Long-term EF 3.1 kg 0
adaa6642-a944-4a3a-8240-c2e9f7274bf5 Environmental → Water → Ocean EF 3.1 kg 4
05a5c4ae-d33e-499b-93d8-07d40777e7a6 Environmental → Water → Surface water EF 3.1 kg 4
42d615da-cd7d-4ce6-810a-63b97270a1cd Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (54 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-d8146da1680e2c50",
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}

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