Heptafluorobutyric anhydride - CAS 336-59-4
Catalog: |
BB021813 |
Product Name: |
Heptafluorobutyric anhydride |
CAS: |
336-59-4 |
Synonyms: |
2,2,3,3,4,4,4-heptafluorobutanoyl 2,2,3,3,4,4,4-heptafluorobutanoate |
IUPAC Name: | 2,2,3,3,4,4,4-heptafluorobutanoyl 2,2,3,3,4,4,4-heptafluorobutanoate |
Description: | Heptafluorobutyric Anhydride can be used to study the distribution of antidepressant drugs in vitreous humor using a validated GC/MS method. |
Molecular Weight: | 410.06 |
Molecular Formula: | C8F14O3 |
Canonical SMILES: | C(=O)(C(C(C(F)(F)F)(F)F)(F)F)OC(=O)C(C(C(F)(F)F)(F)F)(F)F |
InChI: | InChI=1S/C8F14O3/c9-3(10,5(13,14)7(17,18)19)1(23)25-2(24)4(11,12)6(15,16)8(20,21)22 |
InChI Key: | UFFSXJKVKBQEHC-UHFFFAOYSA-N |
Boiling Point: | 108-111 ℃ |
Density: | 1.653 g/cm3 |
Appearance: | Clear colorless liquid |
MDL: | MFCD00000432 |
LogP: | 3.72200 |
GHS Hazard Statement: | H318: Causes serious eye damage [Danger Serious eye damage/eye irritation] |
Precautionary Statement: | P280, P305+P351+P338, and P310 |
Signal Word: | Danger |
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PMID | Publication Date | Title | Journal |
22658904 | 20121101 | A fully validated method for the simultaneous determination of 11 antidepressant drugs in whole blood by gas chromatography-mass spectrometry | Journal of pharmaceutical and biomedical analysis |
22958134 | 20121011 | Mechanism of photo-oxidation of heptafluorobutyric anhydride in the presence of NO2. Synthesis and characterization of heptafluoropropyl peroxynitrate, CF3CF2CF2OONO2 | The journal of physical chemistry. A |
22589523 | 20120701 | Three fatal intoxications due to methylone | Journal of analytical toxicology |
22582269 | 20120601 | Comparison of five derivatizing agents for the determination of amphetamine-type stimulants in human urine by extractive acylation and gas chromatography-mass spectrometry | Journal of analytical toxicology |
22041623 | 20120510 | Evidence of mephedrone chronic abuse through hair analysis using GC/MS | Forensic science international |
Complexity: | 493 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 409.9623881 |
Formal Charge: | 0 |
Heavy Atom Count: | 25 |
Hydrogen Bond Acceptor Count: | 17 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 409.9623881 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 43.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.8 |
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