Chlordimeform
fo-ba4a6901e69025c9
Identity
- Type
- Neutral molecule
- CAS
- 6164-98-3
- EC
- 228-200-5
- 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 |
| antifeedant CHEBI:22583 | A substance that prevents pests from feeding. | 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
23- 1-(2-Methyl-4-chlorophenyl)-3,3-dimethylformamidine
- Acaron
- CDM
- CDM (acaricide)
- Chlorophenamidin
- Chlorophenamidine
- Chlorphenamidine
- Formamidine, N,N-dimethyl-N′-(2-methyl-4-chlorophenyl)-
- Formamidine, N′-(4-chloro-o-tolyl)-N,N-dimethyl-
- Fundal
- Galecron
- Methanimidamide, N′-(4-chloro-2-methylphenyl)-N,N-dimethyl-
- N'-(4-Chloro-2-methylphenyl)-N,N-dimethylformamidine
- N'-(4-chloro-2-methylphenyl)-N,N-dimethylimidoformamide
- N'-(4-chloro-2-methylphenyl)-N,N-dimethylmethanimidamide
- N'-(4-chloro-o-tolyl)-N,N-dimethylformamidine
- N(2)-(4-chloro-o-tolyl)-N(1),N(1)-dimethylformamidine
- N,N-Dimethyl-N′-(2-methyl-4-chlorophenyl)formamidine
- N′-(2-Methyl-4-chlorophenyl)-N,N-dimethylformamidine
- N′-(4-Chloro-2-methylphenyl)-N,N-dimethylmethanimidamide
- N′-(4-Chloro-o-tolyl)-N,N-dimethylformamidine
- N′-(p-Chloro-o-tolyl)-N,N-dimethylformamidine
- Schering 36,268
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | STUSTWKEFDQFFZ-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C10H13ClN2/c1-8-6-9(11)4-5-10(8)12-7-13(2)3/h4-7H,1-3H3 |
| IUPAC name chemrof:IUPAC_name | N'-(4-Chloro-2-methylphenyl)-N,N-dimethylformamidine |
| Molecular formula chemrof:molecular_formula | C10H13ClN2 |
| Molecular mass chemrof:molecular_mass | 196.681 |
| Monoisotopic mass chemrof:monoisotopic_mass | 196.076726 |
| SMILES string chemrof:smiles_string | Cc1cc(Cl)ccc1N=CN(C)C |
Known URLs
10Where 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=6164-98-3 | enrich_references.pubchem_identifier_url |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:34629 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID2037508 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL2288609 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3186141 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/GXA8FP6Y9C | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0250093 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.083J | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/22544 | enrich_references.pubchem_compound |
| Wikidata | https://www.wikidata.org/wiki/Q415341 | enrich_references.pubchem_identifier_url |
Elementary flows
14| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| ea008cd2-4069-441f-b93a-e054f222d299 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| 06a77354-1c22-452f-8c19-bf385fe908d8 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| 8d9da0c5-a525-46fc-bb4b-7cb955f64450 | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| 4ed9df98-8119-4d93-988d-b39b4ac16e0e | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 638aef86-2d41-45bc-bd11-4f4daeb07d04 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| 37d6a8b0-f711-4ab8-a90a-40891e5e2a9e | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| 3d8d947d-8564-4705-a976-cb0f9614cb3e | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| e70d87d7-b363-45e0-9316-3a189ca03692 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| 7b3d23ed19004ae89777101ef8c8f0c4e986a1d0 | Environmental → Ground → Silvicultural | ecoinvent algorithm addition | kg | 0 |
| eb232081-b8aa-4f5f-8983-07e901e1e78e | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| ec2f05bb-ad21-4245-aa8c-feb332a6afde | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 3cc0d535-8e1c-4c33-bab2-e0058e890811 | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| a8046b3c-9825-49de-9271-a396d916731f | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| 8524bf55-747d-4353-a979-711efb713990 | 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