Chlorthal
fo-61477f8d50732c96
Identity
- Type
- Neutral molecule
- CAS
- 2136-79-0
- 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 |
|---|---|---|
| herbicide CHEBI:24527 | A substance used to destroy plant pests. | Curated |
| 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. | Curated |
Alternative labels
1- 2,3,5,6-tetrachloroterephthalic acid
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | KZCBXHSWMMIEQU-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C8H2Cl4O4/c9-3-1(7(13)14)4(10)6(12)2(5(3)11)8(15)16/h(H,13,14)(H,15,16) |
| IUPAC name chemrof:IUPAC_name | 2,3,5,6-tetrachloroterephthalic acid |
| Molecular formula chemrof:molecular_formula | C8H2Cl4O4 |
| Molecular mass chemrof:molecular_mass | 303.912 |
| Monoisotopic mass chemrof:monoisotopic_mass | 301.870719, 301.87072 |
| SMILES string chemrof:smiles_string | O=C(O)c1c(Cl)c(Cl)c(C(=O)O)c(Cl)c1Cl |
Known URLs
4Where 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=2136-79-0 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:179164 | enrich_references.chebi_id_link |
| ChemSpider | https://www.chemspider.com/Chemical-Structure.15635.html | enrich_references.chebi_xrefs |
| HMDB | https://hmdb.ca/metabolites/HMDB0029628 | enrich_references.chebi_xrefs |
Elementary flows
7| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| a9571fc74b9e8759b0ed0e3b8001b9e787705537 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | ecoinvent algorithm addition | kg | 0 |
| 25e153e0c9f906e2932e60023f91820e01f80299 | Environmental → Air → Unknown | ecoinvent algorithm addition | kg | 0 |
| ffcabf044b7e759b25e90a986de829efea3501ff | Environmental → Ground → Agricultural | ecoinvent algorithm addition | kg | 0 |
| 2ac2c38c1f38264c045a80f1bd4922d20b3c909c | Environmental → Ground → Silvicultural | ecoinvent algorithm addition | kg | 0 |
| fa77579a0efd98bc531435d0b99e9a54caa54102 | Environmental → Ground → Unknown | ecoinvent algorithm addition | kg | 0 |
| 29cc381b658d187d1327da9185164394a6b70c1c | Environmental → Water → Surface water | ecoinvent algorithm addition | kg | 0 |
| 8309f0570d1c57d273a4c49dbcd033af93f0612d | 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