Consensus flow list

Identity

Type
Chemical salt
CAS
7585-41-3
EC
231-494-8
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for Barium 4-[(5-chloro-4-methyl-2-sulfonatophenyl)diazenyl]-3-hydroxy-2-naphthoate

Alternative labels

33

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string BNZLJNRQXPJPJY-UHFFFAOYSA-L, RVMRNSLCCQYATD-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C18H13ClN2O6S.Ba/c1-9-6-15(28(25,26)27)14(8-13(9)19)20-21-16-11-5-3-2-4-10(11)7-12(17(16)22)18(23)24;/h2-8,22H,1H3,(H,23,24)(H,25,26,27);/q;+2/p-2
IUPAC name chemrof:IUPAC_name Barium 4-[(5-chloro-4-methyl-2-sulfonatophenyl)diazenyl]-3-hydroxy-2-naphthoate
Molecular formula chemrof:molecular_formula C18H11BaClN2O6S, C18H13BaClN2O6S
SMILES string chemrof:smiles_string Cc1cc(S(=O)(=O)[O-])c(N=Nc2c(O)c(C(=O)[O-])cc3ccccc23)cc1Cl.[Ba+2]

Known URLs

2

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=7585-41-3 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/137202629 enrich_references.pubchem_compound

Elementary flows

13
Flow Context Source Unit CFs
27b9f096-415e-44b8-a9e9-4c1936e84c8d Environmental → Air → Aircraft cruise height EF 3.1 kg 4
abc6395b-0347-4af5-87f8-d1bd1b154270 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
e92b21d1-62ef-4a7e-a370-32b24542c953 Environmental → Air → Indoor EF 3.1 kg 4
1798e79d-218b-4246-b20f-2ffe321cdd3e Environmental → Air → Long-term EF 3.1 kg 0
5c64023a-bc20-4407-af7d-b95303f13fef Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
62c7c678-5978-4647-917a-5464febf95a7 Environmental → Air → Unknown EF 3.1 kg 4
0a36a6ee-ffd0-474a-94a0-c4d76ef8434a Environmental → Ground → Agricultural EF 3.1 kg 4
544dbdd9-2ea4-454f-9e0a-c731ff4dc4b1 Environmental → Ground → Non-agricultural EF 3.1 kg 4
c750ff97-4dfe-49f3-9379-49ec907ee215 Environmental → Ground → Unknown EF 3.1 kg 4
ab76ede8-8966-49fa-b33e-cef2ca305f5e Environmental → Water → Long-term EF 3.1 kg 0
817b4b5e-7eb6-4d80-b552-a07506507920 Environmental → Water → Ocean EF 3.1 kg 4
4bd91dc9-8d35-47dd-b10e-54341ce1f6d9 Environmental → Water → Surface water EF 3.1 kg 4
fb089520-9333-4054-8527-99241226e688 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON
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  "properties": {
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}

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