1,1,1,2-tetrachloroethane
fo-b63c80909755313e
Identity
- Type
- Neutral molecule
- CAS
- 630-20-6
- EC
- 211-135-1
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 56 across every transformer
Structure
Alternative labels
4- (Chloromethyl)trichloromethane
- 1,1,1,2-Tetrachloraethan
- 1,1,1,2-tetrachlorethane
- Ethane, 1,1,1,2-tetrachloro-
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | QVLAWKAXOMEXPM-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C2H2Cl4/c3-1-2(4,5)6/h1H2 |
| IUPAC name chemrof:IUPAC_name | 1,1,1,2-tetrachloroethane |
| Molecular formula chemrof:molecular_formula | C2H2Cl4 |
| Molecular mass chemrof:molecular_mass | 167.85 |
| Monoisotopic mass chemrof:monoisotopic_mass | 165.89106, 165.891061 |
| SMILES string chemrof:smiles_string | ClCC(Cl)(Cl)Cl |
Known URLs
19Where 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:1733216 | enrich_references.chebi_xrefs |
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=630-20-6 | enrich_references.chebi_xrefs |
| cdc.gov | https://www.cdc.gov/niosh-rtecs/KI80EFD0.html | enrich_references.pubchem_identifier_url |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:34024 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.010.124 | enrich_references.pubchem_identifier_url |
| chemicalsafety.ilo.org | https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=1486 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID2021317 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL155816 | enrich_references.pubchem_identifier_url |
| gmelin | gmelin:404970 | enrich_references.chebi_xrefs |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/0S5MKE574X | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0244034 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.311A | enrich_references.pubchem_identifier_url |
| KEGG | https://www.genome.jp/entry/C14705 | enrich_references.chebi_xrefs |
| kegg.jp | https://www.kegg.jp/entry/C14705 | enrich_references.pubchem_identifier_url |
| ppdb | ppdb:1633 | enrich_references.chebi_xrefs |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/12418 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/erg/#1702 | enrich_references.pubchem_identifier_url |
| Wikidata | https://www.wikidata.org/wiki/Q161264 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/1,1,1,2-Tetrachloroethane | enrich_references.pubchem_identifier_url |
Elementary flows
14| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 172a8bc1-6556-11dd-ad8b-0800200c9a66 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 6 |
| 4d9a8790-3ddd-11dd-9221-0050c2490048 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 6 |
| 617e6618-d708-477c-a44e-81bed36243ff | Environmental → Air → Indoor | EF 3.1 | kg | 6 |
| 4d9a8790-3ddd-11dd-9220-0050c2490048 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| fe0acd60-3ddc-11dd-a6cd-0050c2490048 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 6 |
| 4d9a8790-3ddd-11dd-921f-0050c2490048 | Environmental → Air → Unknown | EF 3.1 | kg | 6 |
| 4d9a8790-3ddd-11dd-921d-0050c2490048 | Environmental → Ground → Agricultural | EF 3.1 | kg | 6 |
| fe0acd60-3ddc-11dd-a6d1-0050c2490048 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 6 |
| 4d9a8790-3ddd-11dd-921e-0050c2490048 | Environmental → Ground → Unknown | EF 3.1 | kg | 6 |
| fe0acd60-3ddc-11dd-a6cf-0050c2490048 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 08a91e70-3ddc-11dd-9ef8-0050c2490048 | Environmental → Water → Ocean | EF 3.1 | kg | 6 |
| fe0acd60-3ddc-11dd-a6ce-0050c2490048 | Environmental → Water → Surface water | EF 3.1 | kg | 6 |
| e6e74bda59053e05d50962450524f3e167ecc346 | Environmental → Water → Unconfined aquifer | stepwise algorithm addition | kg | 0 |
| fe0acd60-3ddc-11dd-a6d0-0050c2490048 | Environmental → Water → Unknown | EF 3.1 | kg | 6 |
History
Everything that changed this substance (56 changes)
Full record
Flow object JSON
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"rule": "neutral_molecule",
"reason": "",
"types": [
"https://w3id.org/chemrof/NeutralMolecule"
],
"provenance": {
"prov:wasGeneratedBy": "semantic_typing.classify",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:wasDerivedFrom": "semantic_typing.rule.neutral_molecule"
}
}
},
"classifications": {
"http://semanticscience.org/resource/CHEMINF_000446": {
"@value": [
"630-20-6"
],
"rdfs:seeAlso": [
"https://commonchemistry.cas.org/detail?cas_rn=630-20-6"
],
"http://www.w3.org/2004/02/skos/core#exactMatch": [
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=630-20-6"
}
],
"provenance": {
"prov:wasGeneratedBy": "hybrid_name_cas_v1",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "cas_numbers"
}
},
"http://semanticscience.org/resource/CHEMINF_000447": {
"@value": [
"211-135-1"
],
"rdfs:seeAlso": [
"https://echa.europa.eu/search-for-chemicals?query=211-135-1"
],
"provenance": {
"prov:wasGeneratedBy": "hybrid_name_cas_v1",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "ec_numbers"
}
}
},
"origin_qualifier": null,
"parent_flow_object_id": null,
"parent_intervention_id": null,
"@type": [
"https://w3id.org/chemrof/NeutralMolecule"
]
}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