Consensus flow list

Identity

Type
Neutral molecule
CAS
253-52-1
EC
205-963-2
Origin
EF 3.1 hybrid_name_cas_v1
Changes
57 across every transformer

Structure

Structure diagram for Phthalazine

Alternative labels

6

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string LFSXCDWNBUNEEM-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C8H6N2/c1-2-4-8-6-10-9-5-7(8)3-1/h1-6H
IUPAC name chemrof:IUPAC_name Phthalazine
Molecular formula chemrof:molecular_formula C8H6N2
Molecular mass chemrof:molecular_mass 130.15
Monoisotopic mass chemrof:monoisotopic_mass 130.053098, 130.0531
SMILES string chemrof:smiles_string c1ccc2cnncc2c1

Known URLs

19

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=253-52-1 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:36597 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.005.422 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID9049407 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=62484 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=63241 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1650268 enrich_references.pubchem_identifier_url
gmelin gmelin:218064 enrich_references.chebi_xrefs
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/91Y28DM24N enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0256500 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J5.440B enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=55425 enrich_references.pubchem_identifier_url
pharmgkb.org https://www.pharmgkb.org/chemical/PA166354281 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/9207 enrich_references.pubchem_compound
PubMed https://pubmed.ncbi.nlm.nih.gov/21169055 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/21940905 enrich_references.chebi_xrefs
reaxys reaxys:109240 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q6593919 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Phthalazine enrich_references.chebi_xrefs

Elementary flows

13
Flow Context Source Unit CFs
27e59c2c-6271-48f4-a144-70f1cf2b0603 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
a9b4a68b-2704-4eec-8246-d245658ce2ab Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
1bcc42fe-964c-4301-8417-7a3c6e0624d7 Environmental → Air → Indoor EF 3.1 kg 2
28c27e50-9723-4381-b5cd-334b56fe6ee0 Environmental → Air → Long-term EF 3.1 kg 0
7b673909-1a46-4e8b-9354-96eb2666a7a6 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
4f713275-ec28-45ba-95dd-12c2d6a45037 Environmental → Air → Unknown EF 3.1 kg 2
59f88ba2-8895-4f58-8330-33ac0f483c31 Environmental → Ground → Agricultural EF 3.1 kg 2
7565904c-923c-4ce5-82e4-07d19c41ae16 Environmental → Ground → Non-agricultural EF 3.1 kg 2
093d4575-67d2-4ad1-b68a-64cab015145c Environmental → Ground → Unknown EF 3.1 kg 2
b6607d32-cc1b-437b-b22d-5034b6fa6f51 Environmental → Water → Long-term EF 3.1 kg 0
3ef06c69-7f57-4586-a298-e80561090663 Environmental → Water → Ocean EF 3.1 kg 2
8419c21c-48ee-4af6-855e-fb35c303df9f Environmental → Water → Surface water EF 3.1 kg 2
ea2a4415-0f06-42d6-8869-5cf321be4dc1 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-94a7da4c29713256",
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    {
      "@value": "Phthalazine",
      "@language": "en",
      "@lang": "en",
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "2,3-diazanaphthalene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasDerivedFrom": "chebi synonym match"
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    },
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    },
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