Consensus flow list

Identity

Type
Neutral molecule
CAS
5292-45-5
EC
226-134-1
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for Dimethyl 2-nitroterephthalate

Alternative labels

8

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string PAYWCKGMOYQZAW-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C10H9NO6/c1-16-9(12)6-3-4-7(10(13)17-2)8(5-6)11(14)15/h3-5H,1-2H3
IUPAC name chemrof:IUPAC_name Dimethyl 2-nitroterephthalate
Molecular formula chemrof:molecular_formula C10H9NO6
Molecular mass chemrof:molecular_mass 239.183
Monoisotopic mass chemrof:monoisotopic_mass 239.042987
SMILES string chemrof:smiles_string COC(=O)c1ccc(C(=O)OC)c([N+](=O)[O-])c1

Known URLs

9

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=5292-45-5 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.023.759 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID5022223 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=5056 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/59QLU09DZ4 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J208.799E enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/21364 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27261712 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q72471048 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
bac24563-920e-4c1e-899e-00dba9f9001a Environmental → Air → Aircraft cruise height EF 3.1 kg 2
03dbb52e-4785-4c4b-9ef7-68a3b2189323 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
ff6d991a-ca38-4757-9563-14d16676d171 Environmental → Air → Indoor EF 3.1 kg 2
08b7a52e-d65b-4cde-8ee3-468d6a4c1dd2 Environmental → Air → Long-term EF 3.1 kg 0
2677ebbc-c9ce-4648-8bce-77a2cd3a83ea Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
687234a0-c4f5-498f-8fc9-8a01cb0bc728 Environmental → Air → Unknown EF 3.1 kg 2
c489f934-bace-4583-a13b-837231dd325e Environmental → Ground → Agricultural EF 3.1 kg 2
0caca091-be56-4b6a-9c50-c204d57dc5a2 Environmental → Ground → Non-agricultural EF 3.1 kg 2
39664584-fa40-44ce-ac89-05b1d23ce58b Environmental → Ground → Unknown EF 3.1 kg 2
9adec75f-586d-4a48-92e7-d8b7df03b861 Environmental → Water → Long-term EF 3.1 kg 0
71b1dd54-5b72-4542-90f3-773c12de4e00 Environmental → Water → Ocean EF 3.1 kg 2
fa338862-5c90-4b93-b75e-bd87baf5dba1 Environmental → Water → Surface water EF 3.1 kg 2
fcbec8b7-1e9c-41f5-a294-cdfd6d2ba528 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON
{
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