2,5-dinitrotoluene
fo-b3ccb1a541d6b2a5
Identity
- Type
- Neutral molecule
- CAS
- 619-15-8
- EC
- 210-581-4
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 55 across every transformer
Structure
Alternative labels
6- 1-Methyl-2,5-dinitrobenzene
- 2,5-DNT
- 2-Methyl-1,4-dinitrobenzene
- 3-Methyl-1,4-dinitrobenzene
- Benzene, 2-methyl-1,4-dinitro-
- Toluene, 2,5-dinitro-
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | KZBOXYKTSUUBTO-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C7H6N2O4/c1-5-4-6(8(10)11)2-3-7(5)9(12)13/h2-4H,1H3 |
| IUPAC name chemrof:IUPAC_name | 2,5-dinitrotoluene |
| Molecular formula chemrof:molecular_formula | C7H6N2O4 |
| Molecular mass chemrof:molecular_mass | 182.135 |
| Monoisotopic mass chemrof:monoisotopic_mass | 182.032757 |
| SMILES string chemrof:smiles_string | Cc1cc([N+](=O)[O-])ccc1[N+](=O)[O-] |
Known URLs
10Where 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=619-15-8 | enrich_references.pubchem_identifier_url |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.009.621 | enrich_references.pubchem_identifier_url |
| chemicalsafety.ilo.org | https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=1591 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID8027248 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=159120 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/870KS1U6JB | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J7.041F | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/12075 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/erg/#3454 | enrich_references.pubchem_identifier_url |
| Wikidata | https://www.wikidata.org/wiki/Q22083659 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| b7d00cc1-bb95-4d6f-9377-e3a15ad662e2 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| ef466382-0fbf-455c-8543-5143e7809f55 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| 18dbceb9-35e5-42b5-9438-5135c0d2fb6c | Environmental → Air → Indoor | EF 3.1 | kg | 2 |
| 002d2176-0c46-4709-ab91-8e5b94c5462f | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| e3abc452-7699-47b1-9fa1-da4156841854 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| 732c8d02-5ce5-4fd9-82cf-29740128bd78 | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| f1c89788-e9e9-4890-a87a-5a95878ecd6e | Environmental → Ground → Agricultural | EF 3.1 | kg | 2 |
| 3330d119-0dab-4a19-90d9-356682d21e17 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 2 |
| 88317aa3-e519-4929-b199-4cbcddfa507d | Environmental → Ground → Unknown | EF 3.1 | kg | 2 |
| 5cb963e4-bf6c-48da-b796-395698c550c5 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 01833550-7dd2-41d5-a9ea-4f321156e504 | Environmental → Water → Ocean | EF 3.1 | kg | 2 |
| 8d6135c3-69c4-4c77-856f-f8045bb8bc15 | Environmental → Water → Surface water | EF 3.1 | kg | 2 |
| 3bbc055d-a3b3-4d53-98ae-6263489eb0ce | Environmental → Water → Unknown | EF 3.1 | kg | 2 |
History
Everything that changed this substance (55 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