Consensus flow list

Identity

Type
Neutral molecule
CAS
91-15-6
EC
202-044-8
Origin
EF 3.1 hybrid_name_cas_v1
Changes
57 across every transformer

Structure

Structure diagram for Phthalonitrile

Alternative labels

11

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string XQZYPMVTSDWCCE-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C8H4N2/c9-5-7-3-1-2-4-8(7)6-10/h1-4H
IUPAC name chemrof:IUPAC_name Phthalonitrile
Molecular formula chemrof:molecular_formula C8H4N2
Molecular mass chemrof:molecular_mass 128.134
Monoisotopic mass chemrof:monoisotopic_mass 128.037448, 128.03745
SMILES string chemrof:smiles_string N#Cc1ccccc1C#N

Known URLs

21

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=27599-82-2 enrich_references.pubchem_identifier_url
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=91-15-6 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:232056 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.001.859 enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=0670 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID8029604 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=17562 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3185350 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/978627YAJU enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.921G enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/7042 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#3276 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/21049898 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/26453417 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/36592400 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/39305012 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/4055437 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/452747 enrich_references.chebi_xrefs
reaxys reaxys:775028 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q408783 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Phthalonitrile enrich_references.chebi_xrefs

Elementary flows

13
Flow Context Source Unit CFs
92ffb1ed-f7db-4bbc-821e-4d4b8e137f88 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
66494fd6-440d-4599-9f86-94cbb8627ca5 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
be3e413e-35ab-4c8e-95ac-6a1078d68436 Environmental → Air → Indoor EF 3.1 kg 2
87150bd1-4212-4c7f-a30c-f777de000eed Environmental → Air → Long-term EF 3.1 kg 0
3a9745ad-8b91-4404-9bfd-7567cc8a478d Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
785f3844-ec49-48bd-a51b-1610dc8ec62b Environmental → Air → Unknown EF 3.1 kg 2
566e00ca-ad85-4e95-9979-1f123ef1b302 Environmental → Ground → Agricultural EF 3.1 kg 2
3dc5c5e0-acd4-41a2-aab7-f783fe0e1bc1 Environmental → Ground → Non-agricultural EF 3.1 kg 2
774f1b48-e8db-48c7-a4aa-3ee7d239c203 Environmental → Ground → Unknown EF 3.1 kg 2
ad341afc-8820-462c-a0a5-eba384280e4e Environmental → Water → Long-term EF 3.1 kg 0
7b1badfd-8c9a-4399-82e3-2a5153f6b392 Environmental → Water → Ocean EF 3.1 kg 2
ac94e401-b1f5-4bac-ab01-77c1e1d229aa Environmental → Water → Surface water EF 3.1 kg 2
9b59934d-0e43-48e7-ac2b-f0d3c9f98976 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (57 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-fca0b7229137ae2d",
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      "@language": "en",
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        "prov:wasDerivedFrom": "legacy name field"
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  ],
  "altLabel": [
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      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
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        "prov:wasDerivedFrom": "chebi synonym match"
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    },
    {
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      "@language": "en",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "1,2-dicyanobenzene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "benzene-1,2-dicarbonitrile",
      "@language": "en",
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    },
    {
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    },
    {
      "@value": "o-benzenedinitrile",
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    },
    {
      "@value": "o-cyanobenzonitrile",
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    {
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