Consensus flow list

Identity

Type
Chemical salt
CAS
67828-72-2
EC
267-291-6
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

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

Alternative labels

3

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string QFDAANHXBSNVAN-UHFFFAOYSA-L
InChI2D string chemrof:inchi2d_string InChI=1S/C18H13ClN2O6S.Sr/c1-9-6-14(15(8-13(9)19)28(25,26)27)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 Strontium 4-[(4-chloro-5-methyl-2-sulfonatophenyl)diazenyl]-3-hydroxy-2-naphthoate
Molecular formula chemrof:molecular_formula C18H11ClN2O6SSr
Molecular mass chemrof:molecular_mass 506.434
Monoisotopic mass chemrof:monoisotopic_mass 505.908247
SMILES string chemrof:smiles_string Cc1cc(N=Nc2c(O)c(C(=O)[O-])cc3ccccc23)c(S(=O)(=O)[O-])cc1Cl.[Sr+2]

Known URLs

5

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=67828-72-2 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.061.155 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID7070682 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/135666450 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q81998069 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
a2e0f499-b8a2-4cea-8b7a-e5d3b08f7ac5 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
0748fbca-81f2-4b2a-aad1-bf3cb5d70019 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
4a8945e3-f6fb-4c7f-af57-8430361d4c26 Environmental → Air → Indoor EF 3.1 kg 4
824949d3-62a7-45b1-a0db-da009024ef1f Environmental → Air → Long-term EF 3.1 kg 0
769fa912-53ec-40da-b67c-de20fee800b0 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
71366e72-c1fc-4a9a-9b72-dd0fa10ff32c Environmental → Air → Unknown EF 3.1 kg 4
7e416aaa-b976-45e3-b9f7-75f92a39cf07 Environmental → Ground → Agricultural EF 3.1 kg 4
181e0535-c1d1-40d5-910e-0398ffc9be2a Environmental → Ground → Non-agricultural EF 3.1 kg 4
63411eae-9a04-4b29-83a4-ba6518141276 Environmental → Ground → Unknown EF 3.1 kg 4
29613da9-9996-4a55-93ae-255e63b997d6 Environmental → Water → Long-term EF 3.1 kg 0
b4170177-e32c-4b54-806d-7356682910f7 Environmental → Water → Ocean EF 3.1 kg 4
2b0d5922-dd02-45f2-9a92-3f17f82b4891 Environmental → Water → Surface water EF 3.1 kg 4
21f7aa42-e13d-4cfc-a70b-a0d6f9b5fd5c 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-0742c1b0f55085c2",
  "prefLabel": [
    {
      "@value": "Strontium 4-[(4-chloro-5-methyl-2-sulfonatophenyl)diazenyl]-3-hydroxy-2-naphthoate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "2-Naphthalenecarboxylic acid, 4-[(4-chloro-5-methyl-2-sulfophenyl)azo]-3-hydroxy-, strontium salt (1:1)",
      "@language": "en",
      "@lang": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-Naphthalenecarboxylic acid, 4-[2-(4-chloro-5-methyl-2-sulfophenyl)diazenyl]-3-hydroxy-, strontium salt (1:1)",
      "@language": "en",
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "C.I. Pigment Red 52 strontium salt",
      "@language": "en",
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      ],
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            "CC1=CC(=C(C=C1Cl)S(=O)(=O)[O-])N=NC2=C(C(=CC3=CC=CC=C32)C(=O)O)[O-].[Sr+2]"
          ]
        },
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    "https://w3id.org/chemrof/monoisotopic_mass": {
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}

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