Clorethate
PubChem CID
21851
Structure
Molecular Formula
Synonyms
- Clorethate
- Cloretate
- Chlorethate
- Cloretat
- Bis(2,2,2-trichloroethyl) carbonate
Molecular Weight
324.8 g/mol
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Dates
- Create:2005-03-26
- Modify:2024-12-06
Chemical Structure Depiction
bis(2,2,2-trichloroethyl) carbonate
Computed by Lexichem TK 2.7.0 (PubChem release 2021.10.14)
InChI=1S/C5H4Cl6O3/c6-4(7,8)1-13-3(12)14-2-5(9,10)11/h1-2H2
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
IEPBPSSCIZTJIF-UHFFFAOYSA-N
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
C(C(Cl)(Cl)Cl)OC(=O)OCC(Cl)(Cl)Cl
Computed by OEChem 2.3.0 (PubChem release 2021.10.14)
C5H4Cl6O3
Computed by PubChem 2.2 (PubChem release 2021.10.14)
- bis(2,2,2-trichloroethyl)carbonate
- chlorethate
- clorethate
- SK and F 12866
- SK and F-12866
- SKF 12866
- SKF-12866
- Clorethate
- Cloretate
- Chlorethate
- Cloretat
- Bis(2,2,2-trichloroethyl) carbonate
- 5634-37-7
- Trichloroethyl carbonate
- Clorethate [USAN]
- SKF 12866
- 2,2,2-Trichloroethyl carbonate
- SK&F 12866
- Bis(2,2,2-trichloroethyl)carbonate
- Cloretate [INN]
- NSC 15887
- Ethanol, 2,2,2-trichloro-, carbonate (2:1)
- NSC-15887
- 9VY0HXB11T
- CARBONIC ACID, BIS(2,2,2-TRICHLOROETHYL) ESTER
- Bis-(2,2,2-trichlorethyl)ester kyseliny uhlicite
- NSC15887
- Cloretatum
- Cloretato
- Cloretatum [INN-Latin]
- Cloretato [INN-Spanish]
- UNII-9VY0HXB11T
- BRN 1912457
- Bis-(2,2,2-trichlorethyl)ester kyseliny uhlicite [Czech]
- Clorethate (USAN/INN)
- WLN: GXGG1OVO1XGGG
- SCHEMBL41346
- 2,2-Trichloroethyl carbonate
- CHEMBL2104188
- Bis(2,2-trichloroethyl)carbonate
- DTXSID20204881
- IEPBPSSCIZTJIF-UHFFFAOYSA-N
- Bis(2,2-trichloroethyl) carbonate
- SK&F-12866
- Carbonic acid,2,2-trichloroethyl) ester
- Ethanol,2,2-trichloro-, carbonate (2:1)
- NS00122186
- D03563
- ETHANOL, 2,2,2-TRICHLORO-, CARBONATE
- Carbonic acid, bis(2,2, 2-trichloroethyl) ester
- Q27273294
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
324.8 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
XLogP3-AA
Property Value
4.2
Reference
Computed by XLogP3 3.0 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Donor Count
Property Value
0
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Acceptor Count
Property Value
3
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Rotatable Bond Count
Property Value
4
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Exact Mass
Property Value
323.826210 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Monoisotopic Mass
Property Value
321.829160 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Topological Polar Surface Area
Property Value
35.5Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Heavy Atom Count
Property Value
14
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
175
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Isotope Atom Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Covalently-Bonded Unit Count
Property Value
1
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2021.10.14)
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Mixtures, Components, and Neutralized Forms Count
Similar Compounds (2D)
Similar Conformers (3D)
Patents are available for this chemical structure:
https://patentscope.wipo.int/search/en/result.jsf?inchikey=IEPBPSSCIZTJIF-UHFFFAOYSA-N
- CAS Common ChemistryLICENSEThe data from CAS Common Chemistry is provided under a CC-BY-NC 4.0 license, unless otherwise stated.https://creativecommons.org/licenses/by-nc/4.0/2,2,2-Trichloroethyl carbonatehttps://commonchemistry.cas.org/detail?cas_rn=5634-37-7
- ChemIDplusChemIDplus Chemical Information Classificationhttps://pubchem.ncbi.nlm.nih.gov/source/ChemIDplus
- DTP/NCILICENSEUnless otherwise indicated, all text within NCI products is free of copyright and may be reused without our permission. Credit the National Cancer Institute as the source.https://www.cancer.gov/policies/copyright-reuse
- EPA DSSToxCompTox Chemicals Dashboard Chemical Listshttps://comptox.epa.gov/dashboard/chemical-lists/
- FDA Global Substance Registration System (GSRS)LICENSEUnless otherwise noted, the contents of the FDA website (www.fda.gov), both text and graphics, are not copyrighted. They are in the public domain and may be republished, reprinted and otherwise used freely by anyone without the need to obtain permission from FDA. Credit to the U.S. Food and Drug Administration as the source is appreciated but not required.https://www.fda.gov/about-fda/about-website/website-policies#linking
- ChEMBLLICENSEAccess to the web interface of ChEMBL is made under the EBI's Terms of Use (http://www.ebi.ac.uk/Information/termsofuse.html). The ChEMBL data is made available on a Creative Commons Attribution-Share Alike 3.0 Unported License (http://creativecommons.org/licenses/by-sa/3.0/).http://www.ebi.ac.uk/Information/termsofuse.html
- Japan Chemical Substance Dictionary (Nikkaji)
- KEGGLICENSEAcademic users may freely use the KEGG website. Non-academic use of KEGG generally requires a commercial licensehttps://www.kegg.jp/kegg/legal.html
- NCI Thesaurus (NCIt)LICENSEUnless otherwise indicated, all text within NCI products is free of copyright and may be reused without our permission. Credit the National Cancer Institute as the source.https://www.cancer.gov/policies/copyright-reuseNCI Thesaurushttps://ncit.nci.nih.gov
- NIST Mass Spectrometry Data CenterLICENSEData covered by the Standard Reference Data Act of 1968 as amended.https://www.nist.gov/srd/public-lawClorethatehttp://www.nist.gov/srd/nist1a.cfm
- SpectraBaseEthanol, 2,2,2-trichloro-, carbonate (2:1)https://spectrabase.com/spectrum/6ZIDwCeUk8A
- Springer Nature
- Wikidataclorethatehttps://www.wikidata.org/wiki/Q27273294
- PubChem
- Medical Subject Headings (MeSH)LICENSEWorks produced by the U.S. government are not subject to copyright protection in the United States. Any such works found on National Library of Medicine (NLM) Web sites may be freely used or reproduced without permission in the U.S.https://www.nlm.nih.gov/copyright.html
- NORMAN Suspect List ExchangeLICENSEData: CC-BY 4.0; Code (hosted by ECI, LCSB): Artistic-2.0https://creativecommons.org/licenses/by/4.0/NORMAN Suspect List Exchange Classificationhttps://www.norman-network.com/nds/SLE/
- MolGenieMolGenie Organic Chemistry Ontologyhttps://github.com/MolGenie/ontology/
- PATENTSCOPE (WIPO)SID 388599548https://pubchem.ncbi.nlm.nih.gov/substance/388599548
CONTENTS