Consensus flow list

Identity

Type
Neutral molecule
CAS
602-01-7
EC
210-013-5
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for 2,3-dinitrotoluene

Alternative labels

5

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string DYSXLQBUUOPLBB-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C7H6N2O4/c1-5-3-2-4-6(8(10)11)7(5)9(12)13/h2-4H,1H3
IUPAC name chemrof:IUPAC_name 2,3-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 Cc1cccc([N+](=O)[O-])c1[N+](=O)[O-]

Known URLs

28

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=602-01-7 enrich_references.chebi_xrefs
cdc.gov https://www.cdc.gov/niosh-rtecs/XT13D620.html enrich_references.pubchem_identifier_url
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:142287 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.009.103 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.042.564 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.120.733 enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=0465 enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=0726 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID4027236 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1531586 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/BS660NHC83 enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0245410 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J6.803I enrich_references.pubchem_identifier_url
MetaCyc https://metacyc.org/compound?orgid=META&id=CPD-18108 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/11761 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#1600 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#2038 enrich_references.pubchem_identifier_url
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/15568688 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/15856226 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/16028295 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/22422434 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/2645131 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/3803339 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/553809 enrich_references.chebi_xrefs
reaxys reaxys:2212428 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q13427537 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
df3970ef-a0dc-4852-9a5c-3b03b9d35599 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
b8660a96-6a05-494f-b894-552ffd5915c1 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
b6864406-9f1f-4c65-82f5-4e2f4adf31c7 Environmental → Air → Indoor EF 3.1 kg 2
9096de7b-628c-4036-abfb-30bbc2b603a0 Environmental → Air → Long-term EF 3.1 kg 0
f73007e3-d4fc-43ac-8b6c-849707d4c335 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
5d7586bb-124f-42e2-8af8-1b0693971e62 Environmental → Air → Unknown EF 3.1 kg 2
07965ea9-9039-42a8-9dcd-2f688ba4daa4 Environmental → Ground → Agricultural EF 3.1 kg 2
43e71287-d437-4775-9b31-ed658413ee73 Environmental → Ground → Non-agricultural EF 3.1 kg 2
8991c6c7-c5c8-4f4e-9c51-bcb74e463530 Environmental → Ground → Unknown EF 3.1 kg 2
0ba96ec9-b4c9-4f9c-812c-8cc1a6e18a54 Environmental → Water → Long-term EF 3.1 kg 0
a5ed25b8-ee1e-43b4-b259-be96f2c0ff48 Environmental → Water → Ocean EF 3.1 kg 2
f34dde3d-3a20-4baf-bbbd-2cefe46d0fce Environmental → Water → Surface water EF 3.1 kg 2
13246a86-1549-45db-81ab-055d3584a95c 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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  ],
  "altLabel": [
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    },
    {
      "@value": "2,3-Dinitrotoluol",
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    {
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    },
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      "@value": "Toluene, 2,3-dinitro-",
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