Novaluron
fo-0dcf36d951a1c329
Identity
- Type
- Neutral molecule
- CAS
- 116714-46-6
- EC
- —
- Origin
- ecoinvent-3.12 hybrid_name_cas_v1
- Changes
- 0 across every transformer
Structure
What it is used for
2
Roles, not types. A substance bears as many as apply — sulfluramid is an
insecticide and an acaricide — and each is a class ChEBI curates, asserted
with ChEBI’s own has role. The narrow ones publish the broad
ones alongside them, so a substance filed as a herbicide is a pesticide
here too. See agricultural
chemicals for what the axis is and which classes are published.
| Role | Definition | Evidence |
|---|---|---|
| insecticide CHEBI:24852 | Strictly, a substance intended to kill members of the class Insecta. In common usage, any substance used for preventing, destroying, repelling or controlling insects. | ChEBI |
| pesticide CHEBI:25944 | Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests. | ChEBI |
Alternative labels
3- N-({3-chloro-4-[1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy]phenyl}carbamoyl)-2,6-difluorobenzamide
- N-[({3-chloro-4-[1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy]phenyl}amino)carbonyl]-2,6-difluorobenzamide
- Rimon
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | NJPPVKZQTLUDBO-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C17H9ClF8N2O4/c18-8-6-7(4-5-11(8)31-16(22,23)14(21)32-17(24,25)26)27-15(30)28-13(29)12-9(19)2-1-3-10(12)20/h1-6,14H,(H2,27,28,29,30) |
| IUPAC name chemrof:IUPAC_name | N-({3-chloro-4-[1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy]phenyl}carbamoyl)-2,6-difluorobenzamide |
| Molecular formula chemrof:molecular_formula | C17H9ClF8N2O4 |
| Molecular mass chemrof:molecular_mass | 492.706 |
| Monoisotopic mass chemrof:monoisotopic_mass | 492.01231 |
| SMILES string chemrof:smiles_string | O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(OC(F)(F)C(F)OC(F)(F)F)c(Cl)c1 |
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=116714-46-6 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:39385 | enrich_references.chebi_id_link |
| KEGG | https://www.genome.jp/entry/C18875 | enrich_references.chebi_xrefs |
| pesticides | pesticides:novaluron | enrich_references.chebi_xrefs |
| ppdb | ppdb:487 | enrich_references.chebi_xrefs |
| reaxys | reaxys:5465888 | enrich_references.chebi_xrefs |
| Wikipedia | https://en.wikipedia.org/wiki/Novaluron | enrich_references.chebi_xrefs |
Elementary flows
7| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 801bc1af9c950cedde041d27173236fff1d44c9d | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | ecoinvent algorithm addition | kg | 0 |
| 8f34bb20cf7cfab8bfffe8a10ace61a42bcedc06 | Environmental → Air → Unknown | ecoinvent algorithm addition | kg | 0 |
| fea4effe5399a8ffea4d85f9d3cd04a18c0da65a | Environmental → Ground → Agricultural | ecoinvent algorithm addition | kg | 0 |
| 93c779b3ddff01167651bf667049208098800511 | Environmental → Ground → Silvicultural | ecoinvent algorithm addition | kg | 0 |
| a15aa89e1e519f99b3b3e3d1bcd990d093d152a8 | Environmental → Ground → Unknown | ecoinvent algorithm addition | kg | 0 |
| b769475a6e704b607eab56af091afdd98cccfb5b | Environmental → Water → Surface water | ecoinvent algorithm addition | kg | 0 |
| 31b49f62817508544186002c26d818a4f66f6763 | Environmental → Water → Unknown | ecoinvent algorithm addition | kg | 0 |
History
Everything that changed this substance (0 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