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Pyrithyldione
[CAS# 77-04-3]

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Identification
Name Pyrithyldione
Synonyms 3,3-Diethyl-1H-Pyridine-2,4-Quinone; Persedon; Persidon
Molecular Structure CAS#: 77-04-3, Pyrithyldione
Molecular Formula C9H13NO2
Molecular Weight 167.21
CAS Registry Number 77-04-3
EINECS 201-000-5
SMILES C(C1(C(C=CNC1=O)=O)CC)C
InChI 1S/C9H13NO2/c1-3-9(4-2)7(11)5-6-10-8(9)12/h5-6H,3-4H2,1-2H3,(H,10,12)
InChIKey NZASCBIBXNPDMH-UHFFFAOYSA-N
Properties
Density 1.0±0.1g/cm3 (Cal.)
Boiling point 330.2±35.0°C at 760 mmHg (Cal.)
Flash point 147.8±26.1°C (Cal.)
References
(1) Ulrike Hass, Uwe Dünnbier, Gudrun Massmann and Asaf Pekdeger. Simultaneous determination of psychoactive substances and their metabolites in aqueous matrices by ultrahigh-performance liquid chromatography-tandem mass spectrometry, Anal. Methods, 2011, 3, 902.
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