2,6-Dinitrotoluene
fo-fb28f84854cc23ad
Identity
- Type
- Neutral molecule
- CAS
- 606-20-2
- EC
- 210-106-0
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 57 across every transformer
Structure
Alternative labels
7- 1-methyl-2,6-dinitrobenzene
- 2,6-dinitromethylbenzene
- 2,6-dintrotoluene
- 2,6-DNT
- 2-methyl-1,3-dinitrobenzene
- Benzene, 2-methyl-1,3-dinitro-
- Toluene, 2,6-dinitro-
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | XTRDKALNCIHHNI-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C7H6N2O4/c1-5-6(8(10)11)3-2-4-7(5)9(12)13/h2-4H,1H3 |
| IUPAC name chemrof:IUPAC_name | 2,6-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 | Cc1c([N+](=O)[O-])cccc1[N+](=O)[O-] |
Known URLs
19Where 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=606-20-2 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:957 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.009.188 | enrich_references.pubchem_identifier_url |
| chemicalsafety.ilo.org | https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=0728 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID5020528 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1328508 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/GG7FAV92MK | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0245521 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.076A | enrich_references.pubchem_identifier_url |
| KEGG | https://www.genome.jp/entry/C11008 | enrich_references.chebi_xrefs |
| kegg.jp | https://www.kegg.jp/entry/C11008 | enrich_references.pubchem_identifier_url |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=52831 | enrich_references.pubchem_identifier_url |
| MetaCyc | https://metacyc.org/compound?orgid=META&id=CPD-9133 | enrich_references.chebi_xrefs |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/11813 | enrich_references.pubchem_compound |
| 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/22155124 | enrich_references.chebi_xrefs |
| reaxys | reaxys:2052046 | enrich_references.chebi_xrefs |
| Wikidata | https://www.wikidata.org/wiki/Q2286646 | enrich_references.pubchem_identifier_url |
Elementary flows
14| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 172a16a5-6556-11dd-ad8b-0800200c9a66 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| 08a91e70-3ddc-11dd-8ff7-0050c2490048 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| d0d056ef-c996-4d2c-b85a-d3d07a31606c | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| 08a91e70-3ddc-11dd-8ff6-0050c2490048 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 4d9a8790-3ddd-11dd-9cb7-0050c2490048 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| 08a91e70-3ddc-11dd-8ff5-0050c2490048 | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| 4d9a8790-3ddd-11dd-9cb6-0050c2490048 | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| 4d9a8790-3ddd-11dd-9cbb-0050c2490048 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| 08a91e70-3ddc-11dd-8ff4-0050c2490048 | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| 4d9a8790-3ddd-11dd-9cb9-0050c2490048 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 4d9a8790-3ddd-11dd-9cbc-0050c2490048 | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| 4d9a8790-3ddd-11dd-9cb8-0050c2490048 | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| cfdac09d2da4b80f3e3f90cc3b3ceae6911cbdf8 | Environmental → Water → Unconfined aquifer | stepwise algorithm addition | kg | 0 |
| 4d9a8790-3ddd-11dd-9cba-0050c2490048 | Environmental → Water → Unknown | EF 3.1 | kg | 4 |
History
Everything that changed this substance (57 changes)
Full record
Flow object JSON
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Something wrong here?
- This substance is published under the wrong name
- This is not that chemical
- This record is two substances, or it is a second copy of one
You do not need to run a build or clone anything. Name the record and say what your evidence is; the measurement is done for you. How contributing works