N-Heptafluorobutyrylimidazole - CAS 32477-35-3
Catalog: |
BB021309 |
Product Name: |
N-Heptafluorobutyrylimidazole |
CAS: |
32477-35-3 |
Synonyms: |
2,2,3,3,4,4,4-heptafluoro-1-(1-imidazolyl)-1-butanone; 2,2,3,3,4,4,4-heptafluoro-1-imidazol-1-ylbutan-1-one |
IUPAC Name: | 2,2,3,3,4,4,4-heptafluoro-1-imidazol-1-ylbutan-1-one |
Description: | A derivatization agent used in gas chromatography for determination of various pharmaceutical compounds such as retronecine in biological matrixes. |
Molecular Weight: | 264.10 |
Molecular Formula: | C7H3F7N2O |
Canonical SMILES: | C1=CN(C=N1)C(=O)C(C(C(F)(F)F)(F)F)(F)F |
InChI: | InChI=1S/C7H3F7N2O/c8-5(9,6(10,11)7(12,13)14)4(17)16-2-1-15-3-16/h1-3H |
InChI Key: | MSYHGYDAVLDKCE-UHFFFAOYSA-N |
Boiling Point: | 161 °C |
Density: | 1.49 g/cm3 |
Solubility: | Miscible with chloroform and methanol. |
Appearance: | Liquid |
MDL: | MFCD00014503 |
LogP: | 2.35620 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113009039-A | Method for measuring migration amounts of methyl propylene glycol and neopentyl glycol in food contact material and product by GC-MS | 20210310 |
CN-112834665-A | Method for detecting chloropropanol fatty acid ester in edible oil by triple quadrupole gas chromatography-mass spectrometry | 20210304 |
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PMID | Publication Date | Title | Journal |
22444428 | 20120504 | Comparison of indirect and direct quantification of esters of monochloropropanediol in vegetable oil | Journal of chromatography. A |
22160918 | 20120101 | Bioseparation of recombinant proteins from plant extract with hydrophobin fusion technology | Methods in molecular biology (Clifton, N.J.) |
21802462 | 20111220 | Immobilization of protein-coated drug nanoparticles in nanofibrillar cellulose matrices--enhanced stability and release | Journal of controlled release : official journal of the Controlled Release Society |
21726752 | 20110815 | Improvements in monitoring the N-terminal valine adduct in human globin after exposure to sulfur mustard and synthesis of reference chemicals | Talanta |
21737081 | 20110812 | Dispersive derivatization liquid-liquid extraction of degradation products/precursors of mustards and V-agents from aqueous samples | Journal of chromatography. A |
Complexity: | 314 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 264.01335986 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 9 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 264.01335986 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 34.9 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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