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4233-33-4

4233-33-4 structural image
Product Name: 4-PHENYL-1,2,4-TRIAZOLINE-3,5-DIONE
Formula: C8H5N3O2
Synonyms: 4-Phenyl-3,5-dihydro-4H-1,2,4-triazole-3,5-dione, PTAD;4-Phenyl-3H-1,2,4-triazole-3,5(4H)-dione;Cookson reagent;PTAD
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CHEMICAL AND PHYSICAL PROPERTIES

Solubility 11.9 [ug/mL] (The mean of the results at pH 7.4)

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H302:Acute toxicity,oral
Precautionary Statement Codes P280:Wear protective gloves/protective clothing/eye protection/face protection.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

COMPUTED DESCRIPTORS

Molecular Weight 175.14 g/mol
XLogP3 1.8
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 1
Exact Mass 175.038176411 g/mol
Monoisotopic Mass 175.038176411 g/mol
Topological Polar Surface Area 62.1 Ų
Heavy Atom Count 13
Formal Charge 0
Complexity 251
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes