Record Information |
---|
Version | 1.0 |
---|
Creation Date | 2016-05-19 03:22:44 UTC |
---|
Update Date | 2016-11-09 01:14:11 UTC |
---|
Accession Number | CHEM010458 |
---|
Identification |
---|
Common Name | Ethanesulfonyl fluoride, 2-[1-[difluoro[(trifluoroethenyl)oxy]methyl]-1,2,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoro- |
---|
Class | Small Molecule |
---|
Description | |
---|
Contaminant Sources | - HPV EPA Chemicals
- STOFF IDENT Compounds
|
---|
Contaminant Type | Not Available |
---|
Chemical Structure | |
---|
Synonyms | Value | Source |
---|
1,1,2,2-Tetrafluoro-2-({1,1,1,2,3,3-hexafluoro-3-[(1,2,2-trifluoroethenyl)oxy]propan-2-yl}oxy)ethane-1-sulphonyl fluoride | Generator |
|
---|
Chemical Formula | C7F14O4S |
---|
Average Molecular Mass | 446.110 g/mol |
---|
Monoisotopic Mass | 445.929 g/mol |
---|
CAS Registry Number | 16090-14-5 |
---|
IUPAC Name | 1,1,2,2-tetrafluoro-2-({1,1,1,2,3,3-hexafluoro-3-[(1,2,2-trifluoroethenyl)oxy]propan-2-yl}oxy)ethane-1-sulfonyl fluoride |
---|
Traditional Name | 1,1,2,2-tetrafluoro-2-({1,1,1,2,3,3-hexafluoro-3-[(1,2,2-trifluoroethenyl)oxy]propan-2-yl}oxy)ethanesulfonyl fluoride |
---|
SMILES | FC(F)=C(F)OC(F)(F)C(F)(OC(F)(F)C(F)(F)S(F)(=O)=O)C(F)(F)F |
---|
InChI Identifier | InChI=1S/C7F14O4S/c8-1(9)2(10)24-5(15,16)3(11,4(12,13)14)25-6(17,18)7(19,20)26(21,22)23 |
---|
InChI Key | KTCQQCLZUOZFEI-UHFFFAOYSA-N |
---|
Chemical Taxonomy |
---|
Description | belongs to the class of organic compounds known as sulfonyl fluorides. Sulfonyl fluorides are compounds containing a sulfonyl (R-S(=O)2-R') functional group singly bonded to a fluorine atom. |
---|
Kingdom | Organic compounds |
---|
Super Class | Organohalogen compounds |
---|
Class | Sulfonyl halides |
---|
Sub Class | Sulfonyl fluorides |
---|
Direct Parent | Sulfonyl fluorides |
---|
Alternative Parents | |
---|
Substituents | - Organic sulfonic acid or derivatives
- Organosulfonic acid or derivatives
- Sulfonyl fluoride
- Sulfonyl
- Fluoroalkene
- Vinyl fluoride
- Vinyl halide
- Haloalkene
- Hydrocarbon derivative
- Organic oxide
- Organic oxygen compound
- Organosulfur compound
- Organooxygen compound
- Alkyl fluoride
- Alkyl halide
- Organofluoride
- Aliphatic acyclic compound
|
---|
Molecular Framework | Aliphatic acyclic compounds |
---|
External Descriptors | Not Available |
---|
Biological Properties |
---|
Status | Detected and Not Quantified |
---|
Origin | Not Available |
---|
Cellular Locations | Not Available |
---|
Biofluid Locations | Not Available |
---|
Tissue Locations | Not Available |
---|
Pathways | Not Available |
---|
Applications | Not Available |
---|
Biological Roles | Not Available |
---|
Chemical Roles | Not Available |
---|
Physical Properties |
---|
State | Not Available |
---|
Appearance | Not Available |
---|
Experimental Properties | Property | Value |
---|
Melting Point | Not Available | Boiling Point | Not Available | Solubility | Not Available |
|
---|
Predicted Properties | |
---|
Spectra |
---|
Spectra | Spectrum Type | Description | Splash Key | View |
---|
Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-001j-5661900000-73fc5f5612fd405d07f0 | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-000t-4003900000-e12eaa3789e8a26d796c | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-001i-4920000000-9ebb58472beaf6d7ffaf | Spectrum |
|
---|
Toxicity Profile |
---|
Route of Exposure | Not Available |
---|
Mechanism of Toxicity | Not Available |
---|
Metabolism | Not Available |
---|
Toxicity Values | Not Available |
---|
Lethal Dose | Not Available |
---|
Carcinogenicity (IARC Classification) | Not Available |
---|
Uses/Sources | Not Available |
---|
Minimum Risk Level | Not Available |
---|
Health Effects | Not Available |
---|
Symptoms | Not Available |
---|
Treatment | Not Available |
---|
Concentrations |
---|
| Not Available |
---|
External Links |
---|
DrugBank ID | Not Available |
---|
HMDB ID | Not Available |
---|
FooDB ID | Not Available |
---|
Phenol Explorer ID | Not Available |
---|
KNApSAcK ID | Not Available |
---|
BiGG ID | Not Available |
---|
BioCyc ID | Not Available |
---|
METLIN ID | Not Available |
---|
PDB ID | Not Available |
---|
Wikipedia Link | Not Available |
---|
Chemspider ID | Not Available |
---|
ChEBI ID | Not Available |
---|
PubChem Compound ID | 85958 |
---|
Kegg Compound ID | Not Available |
---|
YMDB ID | Not Available |
---|
ECMDB ID | Not Available |
---|
References |
---|
Synthesis Reference | Not Available |
---|
MSDS | Not Available |
---|
General References | Not Available |
---|