Isooctyldinitrophenol
fo-7f4a7f86909993fa
Identity
- Type
- Neutral molecule
- CAS
- 37224-61-6
- EC
- 253-410-9
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 54 across every transformer
Structure
Alternative labels
1- Phenol, isooctyldinitro-
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | GTZIIROKEBQZNJ-UHFFFAOYSA-N, JKFMWCBNRBUHPM-UHFFFAOYSA-N, LZHVTZNVSMHVQV-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C14H20N2O5/c1-10(2)6-4-3-5-7-11-8-9-12(17)14(16(20)21)13(11)15(18)19/h8-10,17H,3-7H2,1-2H3 |
| IUPAC name chemrof:IUPAC_name | Isooctyldinitrophenol |
| Molecular formula chemrof:molecular_formula | C14H20N2O5 |
| SMILES string chemrof:smiles_string | CC(C)CCCCCc1ccc(O)c([N+](=O)[O-])c1[N+](=O)[O-] |
Known URLs
7Where 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=37224-61-6 | enrich_references.pubchem_identifier_url |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.048.538 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID80958398 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3278564 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/23046587 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/73555759 | enrich_references.pubchem_compound |
| Wikidata | https://www.wikidata.org/wiki/Q82938911 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 6a064547-9174-4e98-bed3-d19281b4683e | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| e4f799fb-0d69-4797-aa73-f34b1e34d5d0 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| e13d1083-465a-4328-985f-d2f3d62dd4ea | Environmental → Air → Indoor | EF 3.1 | kg | 2 |
| f4e5a8c1-eeae-4738-9770-82df8afa4850 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| acfb88f5-9dae-4323-8c9d-2304dc9c392c | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| db760d49-958c-458c-94a2-0d2ced600c87 | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| 4d433ceb-df7c-4114-8d88-fa5496741404 | Environmental → Ground → Agricultural | EF 3.1 | kg | 2 |
| 460a6a6d-1986-457e-ac98-8941673d0398 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 2 |
| 4dd61cf1-35f0-4c70-b228-a40f217b6132 | Environmental → Ground → Unknown | EF 3.1 | kg | 2 |
| 2eb0fe1e-4417-45c9-8e42-18f7f45fcf5f | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| c2246328-ff76-474c-9bb5-fac2422367dc | Environmental → Water → Ocean | EF 3.1 | kg | 2 |
| 5ee97c00-8b5d-461f-b294-140cc9f7373d | Environmental → Water → Surface water | EF 3.1 | kg | 2 |
| 21f983d7-0a22-4a60-829b-6663cffff8e0 | Environmental → Water → Unknown | EF 3.1 | kg | 2 |
History
Everything that changed this substance (54 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