Consensus flow list

Barium Bis{5-chloro-2-[(2-hydroxy-1-naphthyl)diazenyl]-4-methylbenzenesulfonate}

fo-87a094c9de15c02f

Identity

Type
ChemicalSalt
CAS
5160-02-1
EC
225-935-3
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for Barium Bis{5-chloro-2-[(2-hydroxy-1-naphthyl)diazenyl]-4-methylbenzenesulfonate}

Alternative labels

54

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string POJOORKDYOPQLS-FFRZOONGSA-L
InChI2D string chemrof:inchi2d_string InChI=1S/2C17H13ClN2O4S.Ba/c2*1-10-8-14(16(9-13(10)18)25(22,23)24)19-20-17-12-5-3-2-4-11(12)6-7-15(17)21;/h2*2-9,21H,1H3,(H,22,23,24);/q;;+2/p-2
IUPAC name chemrof:IUPAC_name Barium Bis{5-chloro-2-[(2-hydroxy-1-naphthyl)diazenyl]-4-methylbenzenesulfonate}
Molecular formula chemrof:molecular_formula Ba.2C17H12ClN2O4S, C34H24BaCl2N4O8S2
Molecular mass chemrof:molecular_mass 888.954
Monoisotopic mass chemrof:monoisotopic_mass 887.946508, 887.94651
SMILES string chemrof:smiles_string Cc1cc(N=Nc2c(O)ccc3ccccc23)c(S(=O)(=O)[O-])cc1Cl.Cc1cc(N=Nc2c(O)ccc3ccccc23)c(S(=O)(=O)[O-])cc1Cl.[Ba+2]

Known URLs

11

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=5160-02-1 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:82435 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.023.578 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID3021229 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/1FO1ZO92Y1 enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C19382 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C19382 enrich_references.pubchem_identifier_url
ncithesaurus.nci.nih.gov https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C77195 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/21238 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q126677600 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q27155937 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
a69f80f8-7e57-4695-aef4-e6b3cec6521e Environmental → Air → Aircraft cruise height EF 3.1 kg 2
3e56480b-6a88-44bb-acf6-51539973dd69 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
45bc5957-76bc-4922-a65e-33da8f61d6d6 Environmental → Air → Indoor EF 3.1 kg 2
5ec6fc95-1f69-4791-84fa-8998c072c8bd Environmental → Air → Long-term EF 3.1 kg 0
c02154be-b563-43ba-957a-387aade9a0c3 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
1865a5f0-c25e-4625-aa58-4bd3bbd72377 Environmental → Air → Unknown EF 3.1 kg 2
00075eba-dced-4691-8871-3def0d0de197 Environmental → Ground → Agricultural EF 3.1 kg 2
11755adc-bdab-4ec9-8a08-505d6de419a6 Environmental → Ground → Non-agricultural EF 3.1 kg 2
ab5c0a04-eacb-462e-9604-935dc8dc7c55 Environmental → Ground → Unknown EF 3.1 kg 2
d1328eda-a3c3-4b2c-a48b-f466d274c818 Environmental → Water → Long-term EF 3.1 kg 0
097a2bd4-cf01-4ce0-9c7e-b7988198e5d4 Environmental → Water → Ocean EF 3.1 kg 2
72fddd71-5494-4ee0-a6d3-e256419a090e Environmental → Water → Surface water EF 3.1 kg 2
d1a79d37-59d0-4254-8c99-5e000d4a82ee Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (56 changes)

Open the changes page

Full record

Flow object JSON 
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