Consensus flow list

Identity

Type
Neutral molecule
CAS
610-39-9
EC
210-222-1
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for 3,4-dinitrotoluene

Alternative labels

6

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string INYDMNPNDHRJQJ-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C7H6N2O4/c1-5-2-3-6(8(10)11)7(4-5)9(12)13/h2-4H,1H3
IUPAC name chemrof:IUPAC_name 3,4-dinitrotoluene
Molecular formula chemrof:molecular_formula C7H6N2O4
Molecular mass chemrof:molecular_mass 182.135
Monoisotopic mass chemrof:monoisotopic_mass 182.032757, 182.03276
SMILES string chemrof:smiles_string Cc1ccc([N+](=O)[O-])c([N+](=O)[O-])c1

Known URLs

20

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=610-39-9 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:142285 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.009.294 enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=0729 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID8027240 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=52216 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1489568 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/V6PS4L6ZHT enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.080J enrich_references.pubchem_identifier_url
MetaCyc https://metacyc.org/compound?orgid=META&id=CPD-18110 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/11883 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#3454 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/11823201 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/12776928 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/15568688 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/21215986 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/22422434 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/7525201 enrich_references.chebi_xrefs
reaxys reaxys:2213131 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q1992140 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
61609254-3b4e-4a97-990c-e665f6f9b503 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
31d1a6cb-27f9-411d-bcc2-245b023dbb7b Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
e3e8f650-74e6-417c-81ee-64e18bff01e3 Environmental → Air → Indoor EF 3.1 kg 2
978f30d1-cdf0-40a2-8e0e-4e007a25dc2c Environmental → Air → Long-term EF 3.1 kg 0
1c0293b5-aca7-465d-8e96-364d916afbb6 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
72f8545a-579f-423c-b348-f88652850dbd Environmental → Air → Unknown EF 3.1 kg 2
bf64ed89-8c75-4276-8a7a-2734c45e9d44 Environmental → Ground → Agricultural EF 3.1 kg 2
b39a2e80-9b10-4149-b6a7-284109cc6963 Environmental → Ground → Non-agricultural EF 3.1 kg 2
2c4619c1-df2e-409c-813f-2c713f829a63 Environmental → Ground → Unknown EF 3.1 kg 2
2cd0106b-f07f-4662-a0cf-edaaf96d0d4b Environmental → Water → Long-term EF 3.1 kg 0
b09d7e21-6e7b-4e59-a6a2-d6b4a9889377 Environmental → Water → Ocean EF 3.1 kg 2
39f2a02d-02ef-43a0-a3c8-179091bd2d76 Environmental → Water → Surface water EF 3.1 kg 2
ffd03cec-82a2-4cd5-ac89-5144e5407eb0 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (56 changes)

Open the changes page

Full record

Flow object JSON
{
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  "altLabel": [
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        "prov:wasDerivedFrom": "chebi synonym match"
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    {
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    {
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    {
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    },
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      "@value": "Benzene, 4-methyl-1,2-dinitro-",
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