Chlorbromuron
fo-67839d8c07b216c7
Identity
- Type
- Neutral molecule
- CAS
- 13360-45-7
- EC
- 236-411-9
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 56 across every transformer
Structure
Alternative labels
14- 1-(3-Chloro-4-bromophenyl)-3-methyl-3-methoxyurea
- 1-(4-Bromo-3-chlorophenyl)-3-methoxy-3-methylurea
- 3-(3-Chloro-4-bromophenyl)-1-methoxy-1-methylurea
- 3-(3-Chloro-4-bromophenyl)-1-methyl-1-methoxyurea
- 3-(4-Bromo-3-chlorophenyl)-1-methoxy-1-methylurea
- Bromex (herbicide)
- Maloran
- N-(3-Chloro-4-bromophenyl)-N′-methoxy-N′-methyl-urea
- N-(3-Chloro-4-bromophenyl)-N′-methoxy-N′-methylurea
- N-(4-Bromo-3-chlorophenyl)-N′-methoxy-N′-methylurea
- N-(4-Bromo-3-chlorophenyl)-N′-methyl-N′-methoxyurea
- N′-(4-Bromo-3-chlorophenyl)-N-methoxy-N-methylurea
- Urea, 3-(4-bromo-3-chlorophenyl)-1-methoxy-1-methyl-
- Urea, N′-(4-bromo-3-chlorophenyl)-N-methoxy-N-methyl-
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | NLYNUTMZTCLNOO-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C9H10BrClN2O2/c1-13(15-2)9(14)12-6-3-4-7(10)8(11)5-6/h3-5H,1-2H3,(H,12,14) |
| IUPAC name chemrof:IUPAC_name | 1-(3-Chloro-4-bromophenyl)-3-methyl-3-methoxyurea |
| Molecular formula chemrof:molecular_formula | C9H10BrClN2O2 |
| Molecular mass chemrof:molecular_mass | 293.548 |
| Monoisotopic mass chemrof:monoisotopic_mass | 291.961417, 291.96142 |
| SMILES string chemrof:smiles_string | CON(C)C(=O)Nc1ccc(Br)c(Cl)c1 |
Known URLs
13Where 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=13360-45-7 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:3608 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.033.087 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID6040290 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1275654 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/2X2DQC5EHG | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.738C | enrich_references.pubchem_identifier_url |
| KEGG | https://www.genome.jp/entry/C11009 | enrich_references.chebi_xrefs |
| kegg.jp | https://www.kegg.jp/entry/C11009 | enrich_references.pubchem_identifier_url |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=67696 | enrich_references.pubchem_identifier_url |
| ppdb | ppdb:132 | enrich_references.chebi_xrefs |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/25912 | enrich_references.pubchem_compound |
| Wikidata | https://www.wikidata.org/wiki/Q22807251 | enrich_references.pubchem_identifier_url |
Elementary flows
14| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 61023f00-fdc9-4f3e-a33f-1aa31903a7b7 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| 1259b680-2273-479c-9acb-9d3f9b14220c | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| e7a1598a-3941-4183-8ec4-a7fd7a023725 | Environmental → Air → Indoor | EF 3.1 | kg | 2 |
| 9866ed4c-bd9f-4ba4-a35f-a4601fd68052 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 86a19896-9842-49d3-8f6c-b3973dd648d2 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| ab2c7bef-31c1-407f-937c-e412ff6999a0 | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| d4cae263-b7cd-4aa6-8ef5-60615d8e83ad | Environmental → Ground → Agricultural | EF 3.1 | kg | 2 |
| 02415da6-dd5f-4280-a4b2-a96558f9b9bb | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 2 |
| 197ff01bd37b9f2cb50e04d75f8a913317a966bb | Environmental → Ground → Silvicultural | ecoinvent algorithm addition | kg | 0 |
| 6076e0e4-ec44-4f77-9847-ac4c11c4030a | Environmental → Ground → Unknown | EF 3.1 | kg | 2 |
| bdb3734f-bad0-4536-8f77-be9635ccc441 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 3f563dcc-f217-4cbf-8130-7023c25958b7 | Environmental → Water → Ocean | EF 3.1 | kg | 2 |
| 6bbf71a9-1dfb-42bb-ae98-298036c9ca60 | Environmental → Water → Surface water | EF 3.1 | kg | 2 |
| 3d2ad137-1578-45aa-8f64-516352007db2 | 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