Naled
fo-a61e697cddad261e
Identity
- Type
- Neutral molecule
- CAS
- 300-76-5
- EC
- 206-098-3
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 58 across every transformer
Structure
What it is used for
4
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 |
|---|---|---|
| acaricide CHEBI:22153 | A substance used to destroy pests of the subclass Acari (mites and ticks). | ChEBI |
| agrochemical CHEBI:33286 | An agrochemical is a substance that is used in agriculture or horticulture. | ChEBI |
| 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
22- 1,2-dibromo-2,2-dichloroethyl dimethyl phosphate
- Alvora
- Bromchlophos
- Bromex (insecticide)
- Bromex 50
- BRP
- Dibrom
- Dibrom 8
- Dibrom 8 Emulsive
- Dibromfos
- Dimethyl 1,2-dibromo-2,2-dichloroethyl phosphate
- dimethyl-1,2-dibromo-2,2-dichloroethyl phosphate
- Ethanol, 1,2-dibromo-2,2-dichloro-, dimethyl phosphate
- Flibol Ex
- Fosbrom
- MeSH ID: D009267
- O,O-Dimethyl O-(1,2-dibromo-2,2-dichloroethyl) phosphate
- O,O-dimethyl O-2,2-dichloro-1,2-dibromoethyl phosphate
- O-(1,2-dibromo-2,2-dichloroethyl)-O,O-dimethyl phosphate
- Ortho-Dibrom
- phosphoric acid, 1,2-dibromo-2,2-dichloroethyl dimethyl ester
- Trumpet
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | BUYMVQAILCEWRR-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C4H7Br2Cl2O4P/c1-10-13(9,11-2)12-3(5)4(6,7)8/h3H,1-2H3 |
| IUPAC name chemrof:IUPAC_name | 1,2-dibromo-2,2-dichloroethyl dimethyl phosphate |
| Molecular formula chemrof:molecular_formula | C4H7Br2Cl2O4P |
| Molecular mass chemrof:molecular_mass | 380.784 |
| Monoisotopic mass chemrof:monoisotopic_mass | 377.78257, 377.782575 |
| SMILES string chemrof:smiles_string | COP(=O)(OC)OC(Br)C(Cl)(Cl)Br |
Known URLs
22Where 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 |
|---|---|---|
| beilstein | beilstein:2049930 | enrich_references.chebi_xrefs |
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=300-76-5 | enrich_references.chebi_xrefs |
| cdc.gov | https://www.cdc.gov/niosh-rtecs/TB903210.html | enrich_references.pubchem_identifier_url |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:38729 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.005.545 | enrich_references.pubchem_identifier_url |
| chemicalsafety.ilo.org | https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=0925 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID1024209 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1887067 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/PAM1AI9KU1 | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0031806 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.276J | enrich_references.pubchem_identifier_url |
| KEGG | https://www.genome.jp/entry/C18749 | enrich_references.chebi_xrefs |
| kegg.jp | https://www.kegg.jp/entry/C18749 | enrich_references.pubchem_identifier_url |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=45118 | enrich_references.pubchem_identifier_url |
| patent | patent:GB855157 | enrich_references.chebi_xrefs |
| patent | patent:US2971882 | enrich_references.chebi_xrefs |
| pesticides | pesticides:naled | enrich_references.chebi_xrefs |
| ppdb | ppdb:480 | enrich_references.chebi_xrefs |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/4420 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/erg/#3018 | enrich_references.pubchem_identifier_url |
| Wikidata | https://www.wikidata.org/wiki/Q424822 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/Naled | enrich_references.chebi_xrefs |
Elementary flows
15| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 041ff93c-6556-11dd-ad8b-0800200c9a66 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| 4d9a8790-3ddd-11dd-941a-0050c2490048 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| 39f461d2-ecea-4354-a7cd-8292d2272135 | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| 4d9a8790-3ddd-11dd-9419-0050c2490048 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 4d9a8790-3ddd-11dd-941b-0050c2490048 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| 4d9a8790-3ddd-11dd-9418-0050c2490048 | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| 08a91e70-3ddc-11dd-a278-0050c2490048 | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| 4d9a8790-3ddd-11dd-9724-0050c2490048 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| 22c6a7343bc58cbd346429c446816f3633a1da4e | Environmental → Ground → Silvicultural | ecoinvent algorithm addition | kg | 0 |
| 08a91e70-3ddc-11dd-a279-0050c2490048 | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| 4d9a8790-3ddd-11dd-9722-0050c2490048 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 4d9a8790-3ddd-11dd-9725-0050c2490048 | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| 4d9a8790-3ddd-11dd-9721-0050c2490048 | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| 75e4ca143861ce1c4ed454d5a014eeb05537c134 | Environmental → Water → Unconfined aquifer | stepwise algorithm addition | kg | 0 |
| 4d9a8790-3ddd-11dd-9723-0050c2490048 | Environmental → Water → Unknown | EF 3.1 | kg | 4 |
History
Everything that changed this substance (58 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