Brightway Flows 1.0
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Disodium 4,5-dichloro-2-{[3-methyl-5-oxo-1-(3-sulfonatophenyl)-4,5-dihydro-1h-pyrazol-4-yl]diazenyl}benzenesulfonate

fo-b9eb53d605018998

Identity

Type
Chemical salt
CAS
65212-76-2
EC
265-633-9
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for Disodium 4,5-dichloro-2-{[3-methyl-5-oxo-1-(3-sulfonatophenyl)-4,5-dihydro-1h-pyrazol-4-yl]diazenyl}benzenesulfonate

Alternative labels

2

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string DFAYTLNZXNMVJW-UHFFFAOYSA-L, NPHMJNPFGARTFL-UHFFFAOYSA-L
InChI2D string chemrof:inchi2d_string InChI=1S/C16H12Cl2N4O7S2.2Na/c1-8-15(20-19-13-6-11(17)12(18)7-14(13)31(27,28)29)16(23)22(21-8)9-3-2-4-10(5-9)30(24,25)26;;/h2-7,15H,1H3,(H,24,25,26)(H,27,28,29);;/q;2*+1/p-2
IUPAC name chemrof:IUPAC_name Disodium 4,5-dichloro-2-{[3-methyl-5-oxo-1-(3-sulfonatophenyl)-4,5-dihydro-1h-pyrazol-4-yl]diazenyl}benzenesulfonate
Molecular formula chemrof:molecular_formula C16H10Cl2N4Na2O7S2
SMILES string chemrof:smiles_string CC1=NN(c2cccc(S(=O)(=O)[O-])c2)C(=O)C1N=Nc1cc(Cl)c(Cl)cc1S(=O)(=O)[O-].[Na+].[Na+]

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=65212-76-2 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.059.649 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID001036377 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/W3MY8512ED enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J307.344K enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/135566017 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/3017582 enrich_references.pubchem_compound
Wikidata https://www.wikidata.org/wiki/Q126610946 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
2477a556-9e28-41d8-8141-a538fee19afc Environmental → Air → Aircraft cruise height EF 3.1 kg 4
6b6aaa69-3308-428f-a901-fac88270ed06 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
2bde0402-c40b-405d-b1fb-6ffe42b64152 Environmental → Air → Indoor EF 3.1 kg 4
09943706-f246-491f-89fd-d673fc76b35d Environmental → Air → Long-term EF 3.1 kg 0
f2797a98-c4c9-4edc-830c-64db535f77a6 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
63dfeea4-78d5-474d-91e3-5016bf449a49 Environmental → Air → Unknown EF 3.1 kg 4
14755bb7-026a-4cc9-aed3-6f393d141790 Environmental → Ground → Agricultural EF 3.1 kg 4
80981002-7ea4-4c03-ae4b-671d8370b2b4 Environmental → Ground → Non-agricultural EF 3.1 kg 4
fcb284aa-70e2-4f2e-80ed-7718e03537b5 Environmental → Ground → Unknown EF 3.1 kg 4
4b88440e-d6ee-4a3f-a9d2-c32dd36ca863 Environmental → Water → Long-term EF 3.1 kg 0
b0a48dd6-6dd4-42d5-af41-4e995c508c8c Environmental → Water → Ocean EF 3.1 kg 4
cda557a2-fb92-4bab-9808-1fd923296ba4 Environmental → Water → Surface water EF 3.1 kg 4
1c1790db-4fe3-4157-b5b4-63b571145464 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 
{
  "flow_object_id": "fo-b9eb53d605018998",
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      "@value": "Disodium 4,5-dichloro-2-{[3-methyl-5-oxo-1-(3-sulfonatophenyl)-4,5-dihydro-1h-pyrazol-4-yl]diazenyl}benzenesulfonate",
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  ],
  "altLabel": [
    {
      "@value": "Benzenesulfonic acid, 4,5-dichloro-2-[2-[4,5-dihydro-3-methyl-5-oxo-1-(3-sulfophenyl)-1H-pyrazol-4-yl]diazenyl]-, sodium salt (1:2)",
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      "@value": "Benzenesulfonic acid, 4,5-dichloro-2-[[4,5-dihydro-3-methyl-5-oxo-1-(3-sulfophenyl)-1H-pyrazol-4-yl]azo]-, disodium salt",
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}

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