Consensus flow list

2-hydroxybenzonitrile

fo-1dc7199c4040d021

Identity

Type
Neutral molecule
CAS
611-20-1
EC
210-259-3
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 2-hydroxybenzonitrile

Alternative labels

6

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string CHZCERSEMVWNHL-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C7H5NO/c8-5-6-3-1-2-4-7(6)9/h1-4,9H
IUPAC name chemrof:IUPAC_name 2-hydroxybenzonitrile
Molecular formula chemrof:molecular_formula C7H5NO
Molecular mass chemrof:molecular_mass 119.123
Monoisotopic mass chemrof:monoisotopic_mass 119.03711, 119.037114
SMILES string chemrof:smiles_string N#Cc1ccccc1O

Known URLs

12

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=611-20-1 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:194657 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.009.328 enrich_references.pubchem_identifier_url
ChemSpider https://www.chemspider.com/Chemical-Structure.11413.html enrich_references.chebi_xrefs
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID3041661 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=53558 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL195342 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/51RSM8K1VZ enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J75B enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/11907 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=018402 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q27260915 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
18999aec-143d-4551-b255-2eb94e69ded2 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
dddc7e8a-3c37-4419-ab2f-0b1b9e45b6ce Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
6e06ada3-f362-4583-9fe4-e8c5bd8aa801 Environmental → Air → Indoor EF 3.1 kg 2
cc820300-c747-42a4-908e-8ab6f1642dda Environmental → Air → Long-term EF 3.1 kg 0
3a063532-3cd1-4adf-821d-0ba7d25022df Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
f25f4b3b-a955-4eb9-be2a-4cd9a1437188 Environmental → Air → Unknown EF 3.1 kg 2
42f55601-16cf-4715-b668-61675131e307 Environmental → Ground → Agricultural EF 3.1 kg 2
82a91db9-3a9e-478f-a84b-7edf050ae747 Environmental → Ground → Non-agricultural EF 3.1 kg 2
9ecba46f-6332-416e-8c3f-1d5b22d426c0 Environmental → Ground → Unknown EF 3.1 kg 2
ff6ac36a-146b-4a0d-8afd-4010e3a0d906 Environmental → Water → Long-term EF 3.1 kg 0
3a885417-a2c9-45b1-8730-276dd18d5ea7 Environmental → Water → Ocean EF 3.1 kg 2
67ee9f29-a248-4c0d-8839-d4407f0f3d88 Environmental → Water → Surface water EF 3.1 kg 2
47e466a1-a0fa-4890-a000-b22b926f1969 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (54 changes)

Open the changes page

Full record

Flow object JSON 
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  "parent_intervention_id": null,
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ]
}

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