4233-33-4
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
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
Solubility | 11.9 [ug/mL] (The mean of the results at pH 7.4) |
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SAFETY INFORMATION
Signal word | Warning |
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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 |
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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 |