Consensus flow list

Zinc phthalocyanine

fo-5501a4bf1051b3fd

Identity

Type
Chemical salt
CAS
14320-04-8
EC
238-262-5
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for Zinc phthalocyanine

This substance carries 2 candidate structures; the diagram is the first one RDKit could parse, not a settled answer.

Alternative labels

18

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string PODBBOVVOGJETB-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C32H16N8.Zn/c1-2-10-18-17(9-1)25-33-26(18)38-28-21-13-5-6-14-22(21)30(35-28)40-32-24-16-8-7-15-23(24)31(36-32)39-29-20-12-4-3-11-19(20)27(34-29)37-25;/h1-16H;/q-2;+2
IUPAC name chemrof:IUPAC_name zinc 2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene
Molecular formula chemrof:molecular_formula C32H16N8Zn
Molecular mass chemrof:molecular_mass 577.926
Monoisotopic mass chemrof:monoisotopic_mass 576.07893, 576.078935
SMILES string chemrof:smiles_string C1=CC=C2C(=C1)C3=NC4=NC(=NC5=C6C=CC=CC6=C([N-]5)N=C7C8=CC=CC=C8C(=N7)N=C2[N-]3)C9=CC=CC=C94.[Zn+2], c1ccc2c(c1)C1=Nc3c4ccccc4c4[n]3[Zn]35[N]1=C2N=c1c2ccccc2c([n]13)=NC1=[N]5C(=N4)c2ccccc21

Known URLs

6

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
beilstein beilstein:505531 enrich_references.chebi_xrefs
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=14320-04-8 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:51218 enrich_references.chebi_id_link
gmelin gmelin:20368 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/518924 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27122468 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
c1708988-a040-4678-9af1-917fed9dad7e Environmental → Air → Aircraft cruise height EF 3.1 kg 2
3861679d-74dd-48e1-bc6b-c59fdbda89c5 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
b94edf85-b6a2-40e0-b886-610daf73bc02 Environmental → Air → Indoor EF 3.1 kg 2
5bc883dc-0197-4dea-ba64-6f14918a6a7c Environmental → Air → Long-term EF 3.1 kg 0
c8a2bdd8-e94c-422a-b3a7-43cf163c962f Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
988c1b13-2e50-4d27-9ecd-b7e97025d9cc Environmental → Air → Unknown EF 3.1 kg 2
025f038d-2b4c-4f84-ba68-d4131d0e24f5 Environmental → Ground → Agricultural EF 3.1 kg 2
188c19f2-29b3-4287-bc37-072e5bc47001 Environmental → Ground → Non-agricultural EF 3.1 kg 2
6cddbaf7-d87c-4391-80c5-8b4099d76080 Environmental → Ground → Unknown EF 3.1 kg 2
97d374b8-25d1-4ab6-abb7-47e5e2cc9595 Environmental → Water → Long-term EF 3.1 kg 0
ea84acc7-f38f-4d96-9897-a19172d92c4d Environmental → Water → Ocean EF 3.1 kg 2
df6dc600-b0c6-4353-a02e-0f7756f6aba6 Environmental → Water → Surface water EF 3.1 kg 2
029f4462-95f9-417d-b074-5e8cd82f8b20 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 
{
  "flow_object_id": "fo-5501a4bf1051b3fd",
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    {
      "@value": "Zinc phthalocyanine",
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        "prov:wasDerivedFrom": "Common Chemistry / ChEBI primary name agreement"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "(SP-4-1)-(phthalocyaninato(2-)-N(29),N(30),N(31),N(32))zinc",
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "(SP-4-1)-[29H,31H-Phthalocyaninato(2-)-κN29,κN30,κN31,κN32]zinc",
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      }
    },
    {
      "@value": "29H,31H-Phthalocyanine, zinc complex",
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    },
    {
      "@value": "[29H,31H-phthalocyaninato(2-)-kappa(4)N(29),N(30),N(31),N(32)]zinc",
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      "@value": "[29h,31h-phthalocyaninato(2-)-n29,n30,n31,n32]zinc",
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    },
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      "@value": "ciaftalan zinc",
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      "@value": "ciaftalane zinc",
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    },
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    },
    {
      "@value": "Phthalocyanine, zinc deriv.",
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    },
    {
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    },
    {
      "@value": "Zinc(2+) phthalocyaninate",
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      }
    },
    {
      "@value": "Zinc(II) phthalocyanine",
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    },
    {
      "@value": "Zinc, [29H,31H-phthalocyaninato(2-)-N29,N30,N31,N32]-, (SP-4-1)-",
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      }
    },
    {
      "@value": "Zinc, [29H,31H-phthalocyaninato(2-)-κN29,κN30,κN31,κN32]-, (SP-4-1)-",
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    },
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      "@value": "Zinc, [phthalocyaninato(2-)]-",
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