Chloramben, Methyl Ester
fo-3f376149a081b67e
Identity
- Type
- Neutral molecule
- CAS
- 7286-84-2
- EC
- —
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 55 across every transformer
Structure
Alternative labels
6- 3-Amino-2,5-dichlorobenzoic acid methyl ester
- Amiben methyl ester
- Benzoic acid, 3-amino-2,5-dichloro-, methyl ester
- Chloramben methyl
- Chloramben methyl ester
- Methyl 3-amino-2,5-dichlorobenzoate
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | DTSSCQVCVYZGSI-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C8H7Cl2NO2/c1-13-8(12)5-2-4(9)3-6(11)7(5)10/h2-3H,11H2,1H3 |
| IUPAC name chemrof:IUPAC_name | 3-Amino-2,5-dichlorobenzoic acid methyl ester |
| Molecular formula chemrof:molecular_formula | C8H7Cl2NO2 |
| Molecular mass chemrof:molecular_mass | 220.055 |
| Monoisotopic mass chemrof:monoisotopic_mass | 218.985384 |
| SMILES string chemrof:smiles_string | COC(=O)c1cc(Cl)cc(N)c1Cl |
Known URLs
8Where 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=7286-84-2 | enrich_references.pubchem_identifier_url |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.213.036 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID1041762 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=190368 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/PR0142CJCU | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J81.360E | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/23714 | enrich_references.pubchem_compound |
| Wikidata | https://www.wikidata.org/wiki/Q27286716 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 4b982eb7-fba2-4603-89b2-7e3d142ef89f | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| 0c34265f-d8e0-43ed-8efa-6dc26ebeff92 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| e7e8f32c-e002-41f1-aae9-91de6190ca49 | Environmental → Air → Indoor | EF 3.1 | kg | 2 |
| 9122598b-43fa-4aaa-aa69-af8da1963913 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| fd7c2d1c-4be4-487c-a1e8-3302d02a6b3d | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| 18db7d39-bed2-4e82-884f-94a0c6b2e255 | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| 8a398fec-70c6-4f9d-a47b-20a986067207 | Environmental → Ground → Agricultural | EF 3.1 | kg | 2 |
| 1652312e-c9b6-4950-9fd0-577fc6aa2184 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 2 |
| f18914fe-6ae6-4baf-9231-6682927419d4 | Environmental → Ground → Unknown | EF 3.1 | kg | 2 |
| c682f0fd-b788-4aff-ab50-a7bc618d17ea | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 5cd6b14a-30fb-470f-8b0f-d9e2faf60046 | Environmental → Water → Ocean | EF 3.1 | kg | 2 |
| 2adc71e4-6fda-4498-86b5-b53012c37a38 | Environmental → Water → Surface water | EF 3.1 | kg | 2 |
| fa1f925e-27fd-480f-9e6a-907ef7340528 | Environmental → Water → Unknown | EF 3.1 | kg | 2 |
History
Everything that changed this substance (55 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