1,1,1-Trichloroethane
fo-49ce0eec1f4341e1
Identity
- Type
- Neutral molecule
- CAS
- 71-55-6
- EC
- 200-756-3
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 85 across every transformer
Structure
Alternative labels
30- 1,1,1-TCE
- 1,1,1-Trichloraethan
- 1,1,1-trichlorethane
- Aerothene TT
- alpha-T
- alpha-trichloroethane
- Chlorotene
- Chlorothene
- Chlorothene NU
- Chlorothene SM
- Chlorothene VG
- Chlorten
- Cleanite
- Ethana NU
- Ethane, 1,1,1-trichloro-
- Genklene LB
- Hcfc-140
- ICI-CF 2
- Inhibisol
- Methyl Chloroform
- Methylchloroform
- methyltrichloromethane
- Tafclean
- Three One A
- Three One S
- trichloro-1,1,1-ethane
- Trichloromethylmethane
- α-T
- α-Trichloroethane
- Ethane, 1,1,1-trichloro-, HCFC-140
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | UOCLXMDMGBRAIB-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C2H3Cl3/c1-2(3,4)5/h1H3 |
| IUPAC name chemrof:IUPAC_name | 1,1,1-Trichloroethane |
| Molecular formula chemrof:molecular_formula | C2H3Cl3 |
| Molecular mass chemrof:molecular_mass | 133.405 |
| Monoisotopic mass chemrof:monoisotopic_mass | 131.93003, 131.930033 |
| SMILES string chemrof:smiles_string | CC(Cl)(Cl)Cl |
Known URLs
27Where 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=71-55-6 | enrich_references.chebi_xrefs |
| cdc.gov | https://www.cdc.gov/niosh-rtecs/KJ2D6518.html | enrich_references.pubchem_identifier_url |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:36015 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.000.688 | enrich_references.pubchem_identifier_url |
| chemicalsafety.ilo.org | https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=0079 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID0021381 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=9367 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL16080 | enrich_references.pubchem_identifier_url |
| gmelin | gmelin:82076 | enrich_references.chebi_xrefs |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/113C650IR1 | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0041791 | enrich_references.chebi_xrefs |
| hts.usitc.gov | https://hts.usitc.gov/search?query=2903.19.60.10 | enrich_references.pubchem_identifier_url |
| hts.usitc.gov | https://hts.usitc.gov/search?query=3827.14.00.00 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.376K | enrich_references.pubchem_identifier_url |
| KEGG | https://www.genome.jp/entry/C18246 | enrich_references.chebi_xrefs |
| kegg.jp | https://www.kegg.jp/entry/C18246 | enrich_references.pubchem_identifier_url |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=49536 | enrich_references.pubchem_identifier_url |
| ncithesaurus.nci.nih.gov | https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C75637 | enrich_references.pubchem_identifier_url |
| ppdb | ppdb:1511 | enrich_references.chebi_xrefs |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/6278 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/erg/#2831 | enrich_references.pubchem_identifier_url |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/16541244 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/20536226 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/23102696 | enrich_references.chebi_xrefs |
| reaxys | reaxys:1731614 | enrich_references.chebi_xrefs |
| Wikidata | https://www.wikidata.org/wiki/Q161268 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/1,1,1-Trichloroethane | enrich_references.chebi_xrefs |
Elementary flows
19| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| d86cafe1-6555-11dd-ad8b-0800200c9a66 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 7 |
| 4d9a8790-3ddd-11dd-925b-0050c2490048 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 7 |
| 37143355-07e1-4b98-9f3f-8a47bc80a897 | Environmental → Air → Indoor | EF 3.1 | kg | 6 |
| 4d9a8790-3ddd-11dd-925a-0050c2490048 | Environmental → Air → Long-term | EF 3.1 | kg | 3 |
| 4d9a8790-3ddd-11dd-925c-0050c2490048 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 7 |
| d86cafdf-6555-11dd-ad8b-0800200c9a66 | Environmental → Air → Unknown | EF 3.1 | kg | 7 |
| d86cafde-6555-11dd-ad8b-0800200c9a66 | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| 4d9a8790-3ddd-11dd-9260-0050c2490048 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| fe0acd60-3ddc-11dd-a6d7-0050c2490048 | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| 4d9a8790-3ddd-11dd-925e-0050c2490048 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 4d9a8790-3ddd-11dd-9261-0050c2490048 | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| 0b25be683af6cfe2956397237fda4cdcdbff365d | Environmental → Water → River | bafu algorithm addition | kg | 0 |
| 4d9a8790-3ddd-11dd-925d-0050c2490048 | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| 13a58351a232bc2cdee00ae52dc0931916bf6a43 | Environmental → Water → Unconfined aquifer | ecoinvent algorithm addition | kg | 0 |
| 4d9a8790-3ddd-11dd-925f-0050c2490048 | Environmental → Water → Unknown | EF 3.1 | kg | 4 |
| 9ae45384-e251-11e6-bf01-fe55135034f3 deprecated | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 7 |
| 9ae44f9c-e251-11e6-bf01-fe55135034f3 deprecated | Environmental → Air → Long-term | EF 3.1 | kg | 3 |
| 9ae45122-e251-11e6-bf01-fe55135034f3 deprecated | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 7 |
| 9ae44d44-e251-11e6-bf01-fe55135034f3 deprecated | Environmental → Air → Unknown | EF 3.1 | kg | 7 |
History
Everything that changed this substance (85 changes)
Full record
Flow object JSON
{
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},
{
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},
{
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{
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{
"@value": "Inhibisol",
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{
"@value": "Methyl Chloroform",
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{
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{
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{
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{
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{
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{
"@value": "trichloro-1,1,1-ethane",
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{
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},
{
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},
{
"@value": "α-Trichloroethane",
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{
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"properties": {
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"@value": [
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],
"attested_by": {
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},
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},
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"rdfs:label": "InChI",
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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