Fluchloralin
fo-ea3fb57ca9b0c5f1
Identity
- Type
- Neutral molecule
- CAS
- 33245-39-5
- EC
- 251-426-0
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 56 across every transformer
Structure
Alternative labels
8- Basalin
- Benzenamine, N-(2-chloroethyl)-2,6-dinitro-N-propyl-4-(trifluoromethyl)-
- N-(2-Chloroethyl)-2,6-dinitro-N-propyl-4-(trifluoromethyl)benzenamine
- N-Propyl-N-(2-chloroethyl)-2,6-dinitro-4-trifluoromethylaniline
- N-Propyl-N-(2′-chloroethyl)-2,6-dinitro-4-trifluoromethylaniline
- N-Propyl-N-β-chloroethyl-2,6-dinitro-4-trifluoromethylaniline
- N-Propyl-N-β-chloroethyl-4-trifluoromethyl-2,6-dinitroaniline
- p-Toluidine, N-(2-chloroethyl)-α,α,α-trifluoro-2,6-dinitro-N-propyl-
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | MNFMIVVPXOGUMX-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C12H13ClF3N3O4/c1-2-4-17(5-3-13)11-9(18(20)21)6-8(12(14,15)16)7-10(11)19(22)23/h6-7H,2-5H2,1H3 |
| IUPAC name chemrof:IUPAC_name | N-(2-Chloroethyl)-2,6-dinitro-N-propyl-4-(trifluoromethyl)benzenamine |
| Molecular formula chemrof:molecular_formula | C12H13ClF3N3O4 |
| Molecular mass chemrof:molecular_mass | 355.7 |
| Monoisotopic mass chemrof:monoisotopic_mass | 355.054668, 355.05467 |
| SMILES string chemrof:smiles_string | CCCN(CCCl)c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] |
Known URLs
15Where 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=33245-39-5 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:81919 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.046.736 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID9032614 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1256704 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/98UIF19AH9 | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0252326 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J20.322J | enrich_references.pubchem_identifier_url |
| KEGG | https://www.genome.jp/entry/C18730 | enrich_references.chebi_xrefs |
| kegg.jp | https://www.kegg.jp/entry/C18730 | enrich_references.pubchem_identifier_url |
| ppdb | ppdb:1281 | enrich_references.chebi_xrefs |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/36392 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=500973 | enrich_references.pubchem_identifier_url |
| Wikidata | https://www.wikidata.org/wiki/Q15632819 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/Fluchloralin | enrich_references.pubchem_identifier_url |
Elementary flows
15| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 3e4d2969-6556-11dd-ad8b-0800200c9a66 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| 4d9a8790-3ddd-11dd-90f8-0050c2490048 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| 2bff9c55-0e7e-4232-958a-1223a02776e3 | Environmental → Air → Indoor | EF 3.1 | kg | 2 |
| 4d9a8790-3ddd-11dd-90f7-0050c2490048 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 4d9a8790-3ddd-11dd-90f9-0050c2490048 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| 4d9a8790-3ddd-11dd-9802-0050c2490048 | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| 4d9a8790-3ddd-11dd-9800-0050c2490048 | Environmental → Ground → Agricultural | EF 3.1 | kg | 2 |
| 4d9a8790-3ddd-11dd-90fd-0050c2490048 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 2 |
| 5bf3beb12ac7bdeb651b5c3f9b2e4f9e7c6454e1 | Environmental → Ground → Silvicultural | ecoinvent algorithm addition | kg | 0 |
| 4d9a8790-3ddd-11dd-9801-0050c2490048 | Environmental → Ground → Unknown | EF 3.1 | kg | 2 |
| 4d9a8790-3ddd-11dd-90fb-0050c2490048 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 4d9a8790-3ddd-11dd-90fe-0050c2490048 | Environmental → Water → Ocean | EF 3.1 | kg | 2 |
| 4d9a8790-3ddd-11dd-90fa-0050c2490048 | Environmental → Water → Surface water | EF 3.1 | kg | 2 |
| 41adae07e8a00593980668f58b16bd89fe222cb3 | Environmental → Water → Unconfined aquifer | stepwise algorithm addition | kg | 0 |
| 4d9a8790-3ddd-11dd-90fc-0050c2490048 | Environmental → Water → Unknown | EF 3.1 | kg | 2 |
History
Everything that changed this substance (56 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