Chlorobutanol
fo-8ea40112850fb8dd
Identity
- Type
- Neutral molecule
- CAS
- 57-15-8
- EC
- 200-317-6
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 59 across every transformer
Structure
Alternative labels
24- 1,1,1-Trichloro-2-methyl-2-propanol
- 1,1,1-Trichloro-tert-butyl alcohol
- 2,2,2-Trichloro-1,1-dimethylethanol
- 2-(Trichloromethyl)-2-propanol
- 2-Propanol, 1,1,1-trichloro-2-methyl-
- acetochlorone
- acetonchloroform
- acetone chloroform
- Anhydrous chlorobutanol
- Chlorbutanol
- chlorbutol
- chloreton
- chloretone
- Chlortran
- Clortran
- Coliquifilm
- Dentalone
- Khloreton
- MeSH ID: D002724
- Methaform
- Sedaform
- Trichloro-tert-butyl alcohol
- trichlorobutanol
- β,β,β-Trichloro-tert-butyl alcohol
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | OSASVXMJTNOKOY-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C4H7Cl3O/c1-3(2,8)4(5,6)7/h8H,1-2H3 |
| IUPAC name chemrof:IUPAC_name | 1,1,1-Trichloro-2-methyl-2-propanol |
| Molecular formula chemrof:molecular_formula | C4H7Cl3O |
| Molecular mass chemrof:molecular_mass | 177.458 |
| Monoisotopic mass chemrof:monoisotopic_mass | 175.956248, 175.95625 |
| SMILES string chemrof:smiles_string | CC(C)(O)C(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=1320-66-7 | enrich_references.pubchem_identifier_url |
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=57-15-8 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:134813 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.000.288 | enrich_references.pubchem_identifier_url |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.013.914 | enrich_references.pubchem_identifier_url |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.044.569 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID1041217 | enrich_references.pubchem_identifier_url |
| drugbank.ca | https://www.drugbank.ca/drugs/DB11386 | enrich_references.pubchem_identifier_url |
| drugcentral | drugcentral:3092 | enrich_references.chebi_xrefs |
| drugcentral.org | https://drugcentral.org/drugcard/3092 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=44794 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=4596 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=5208 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=760101 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1439973 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/HM4YQM8WRC | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0250108 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.380C | enrich_references.pubchem_identifier_url |
| kegg.jp | https://www.kegg.jp/entry/D01942 | enrich_references.pubchem_identifier_url |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=123489 | enrich_references.pubchem_identifier_url |
| ncithesaurus.nci.nih.gov | https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C65317 | enrich_references.pubchem_identifier_url |
| platform.opentargets.org | https://platform.opentargets.org/drug/CHEMBL1439973 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/5977 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=017656 | enrich_references.pubchem_identifier_url |
| rxnav.nlm.nih.gov | https://rxnav.nlm.nih.gov/id/rxnorm/2378 | enrich_references.pubchem_identifier_url |
| Wikidata | https://www.wikidata.org/wiki/Q1047468 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/Chlorobutanol | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| c6d7789c-83de-4ce8-ae0b-7312c38bd8f8 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| 3af573e1-0721-4a29-9226-5a586204ec50 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| a90f695c-a1ab-4958-87a3-3a4fc289609a | Environmental → Air → Indoor | EF 3.1 | kg | 2 |
| 572829a8-4211-4016-98dd-c16c6b36285d | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| dd2e1d38-ea92-4800-981d-a2192067d23b | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| 6dc1efa5-eab6-4a1f-a3c1-36a77bf1f2a8 | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| beeea602-98a6-4c27-8566-6ef7ab8dbf8a | Environmental → Ground → Agricultural | EF 3.1 | kg | 2 |
| 8c8a7b02-c2b2-4a94-8b5f-e9a54af8494d | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 2 |
| 08ea9852-f77b-4747-ba8b-9c12a2fbf661 | Environmental → Ground → Unknown | EF 3.1 | kg | 2 |
| 1df37f94-f1a8-4cdc-813f-dff4ad480fc0 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 86817653-e49a-4113-9a70-23143818594a | Environmental → Water → Ocean | EF 3.1 | kg | 2 |
| b898c1b4-9510-4eb7-88d2-26d8aba05f3c | Environmental → Water → Surface water | EF 3.1 | kg | 2 |
| ebdc44d5-64c9-4f91-83d7-1d1c574d1acd | Environmental → Water → Unknown | EF 3.1 | kg | 2 |
History
Everything that changed this substance (59 changes)
Full record
Flow object JSON
{
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{
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{
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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