Consensus flow list

Identity

Type
Neutral molecule
CAS
131-89-5
EC
205-042-5
Origin
EF 3.1 hybrid_name_cas_v1
Changes
58 across every transformer

Structure

Structure diagram for Dinex

Alternative labels

8

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string QJYHUJAGJUHXJN-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C12H14N2O5/c15-12-10(8-4-2-1-3-5-8)6-9(13(16)17)7-11(12)14(18)19/h6-8,15H,1-5H2
IUPAC name chemrof:IUPAC_name 2,4-Dinitro-6-cyclohexylphenol
Molecular formula chemrof:molecular_formula C12H14N2O5
Molecular mass chemrof:molecular_mass 266.253
Monoisotopic mass chemrof:monoisotopic_mass 266.09027, 266.090272
SMILES string chemrof:smiles_string O=[N+]([O-])c1cc(C2CCCCC2)c(O)c([N+](=O)[O-])c1

Known URLs

15

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=131-89-5 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:82167 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.004.585 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID4024064 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=403662 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=7739 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3188606 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/149RBS03P0 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.945I enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C19038 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C19038 enrich_references.pubchem_identifier_url
ppdb ppdb:2760 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/8540 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#2779 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q27155777 enrich_references.pubchem_identifier_url

Elementary flows

14
Flow Context Source Unit CFs
041f8414-6556-11dd-ad8b-0800200c9a66 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
08a91e70-3ddc-11dd-9eb6-0050c2490048 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
610bfe35-5a17-4087-b993-c3f9d14778a8 Environmental → Air → Indoor EF 3.1 kg 4
08a91e70-3ddc-11dd-9eb5-0050c2490048 Environmental → Air → Long-term EF 3.1 kg 0
08a91e70-3ddc-11dd-9eb7-0050c2490048 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
08a91e70-3ddc-11dd-9eb4-0050c2490048 Environmental → Air → Unknown EF 3.1 kg 4
08a91e70-3ddc-11dd-9eb2-0050c2490048 Environmental → Ground → Agricultural EF 3.1 kg 4
08a91e70-3ddc-11dd-9ebb-0050c2490048 Environmental → Ground → Non-agricultural EF 3.1 kg 4
e2cd71d43d9d471b377ff775c15b51be2cd795e9 Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
08a91e70-3ddc-11dd-9eb3-0050c2490048 Environmental → Ground → Unknown EF 3.1 kg 4
08a91e70-3ddc-11dd-9eb9-0050c2490048 Environmental → Water → Long-term EF 3.1 kg 0
08a91e70-3ddc-11dd-931b-0050c2490048 Environmental → Water → Ocean EF 3.1 kg 4
08a91e70-3ddc-11dd-9eb8-0050c2490048 Environmental → Water → Surface water EF 3.1 kg 4
08a91e70-3ddc-11dd-9eba-0050c2490048 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (58 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-1b5fd88d3b504798",
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    {
      "@value": "Dinex",
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  ],
  "altLabel": [
    {
      "@value": "2,4-Dinitro-6-cyclohexylphenol",
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    },
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