Dinobuton
fo-452e81d2b6f56dd9
Identity
- Type
- Neutral molecule
- CAS
- 973-21-7
- EC
- 213-546-1
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 56 across every transformer
Structure
Alternative labels
13- 2,4-Dinitro-6-sec-butylphenyl-isopropylcarbonate
- 2,4-Dinitro-6-sec-butylphenyl-O-isopropyl carbonate
- 2-sec-Butyl-4,6-dinitrophenyl isopropyl carbonate
- Acrex
- Akrex
- Carbonic acid, 1-methylethyl 2-(1-methylpropyl)-4,6-dinitrophenyl ester
- Carbonic acid, 2-sec-butyl-4,6-dinitrophenyl isopropyl ester
- Dessin
- Drawinol
- Isophen
- Isophen (pesticide)
- Isopropyl 2,4-dinitro-6-sec-butylphenyl carbonate
- Kasebon
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | HDWLUGYOLUHEMN-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C14H18N2O7/c1-5-9(4)11-6-10(15(18)19)7-12(16(20)21)13(11)23-14(17)22-8(2)3/h6-9H,5H2,1-4H3 |
| IUPAC name chemrof:IUPAC_name | 2-sec-Butyl-4,6-dinitrophenyl isopropyl carbonate |
| Molecular formula chemrof:molecular_formula | C14H18N2O7 |
| Molecular mass chemrof:molecular_mass | 326.305 |
| Monoisotopic mass chemrof:monoisotopic_mass | 326.1114, 326.111401 |
| SMILES string chemrof:smiles_string | CCC(C)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1OC(=O)OC(C)C |
Known URLs
12Where 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=973-21-7 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:81914 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.012.315 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID4040268 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1358468 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/A711XEV1PF | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.356A | enrich_references.pubchem_identifier_url |
| KEGG | https://www.genome.jp/entry/C18721 | enrich_references.chebi_xrefs |
| kegg.jp | https://www.kegg.jp/entry/C18721 | enrich_references.pubchem_identifier_url |
| ppdb | ppdb:249 | enrich_references.chebi_xrefs |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/13783 | enrich_references.pubchem_compound |
| Wikidata | https://www.wikidata.org/wiki/Q1226658 | enrich_references.pubchem_identifier_url |
Elementary flows
14| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| fd007420-8def-4bed-be8e-61310429371a | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| 7cc77009-ae53-431e-a698-6d2a73dd0cbc | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| dff7e5c4-515b-4b6f-9277-84d02252687e | Environmental → Air → Indoor | EF 3.1 | kg | 2 |
| 117a7c97-b2de-443a-98b3-d99eb99a8678 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| c6d6eef6-dbb2-4423-b1b0-252fd6d8ebc7 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| 55a9d78e-9077-4ce6-aeb2-2e944b58b68c | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| 2eef5a29-0e4f-4c16-99f9-e8b2c4d5fd7f | Environmental → Ground → Agricultural | EF 3.1 | kg | 2 |
| 8e6d69ab-08d9-4783-a182-c0d6684f94cc | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 2 |
| 7809fc218887b713219e37b61f901b4aab4e6662 | Environmental → Ground → Silvicultural | ecoinvent algorithm addition | kg | 0 |
| 12383ae1-1ff5-4b80-a0d2-b284502a37d4 | Environmental → Ground → Unknown | EF 3.1 | kg | 2 |
| 74765b0a-4057-4a40-aba6-2c8ad54b1474 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| d1041168-c956-4425-b902-703c1e38fbf1 | Environmental → Water → Ocean | EF 3.1 | kg | 2 |
| ac5bd493-f1f7-4bed-b986-d3612976752d | Environmental → Water → Surface water | EF 3.1 | kg | 2 |
| bca3001f-097c-4080-8b89-144c51d74747 | 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