4-Phenyl-1,2,4-triazole-3,5-dione

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Names

[ CAS No. ]:
4233-33-4

[ Name ]:
4-Phenyl-1,2,4-triazole-3,5-dione

[Synonym ]:
PTAD
4-PHENYL-1,2,4-TRIAZOLINE-3,5-DIONE
3H-1,2,4-Triazole-3,5(4H)-dione, 4-phenyl-
4-Phenyl-3H-1,2,4-triazole-3,5(4H)-dione,PTAD
EINECS 224-191-7
4-Phenyl-3H-1,2,4-triazole-3,5(4H)-dione
MFCD00003148
4-Phenyl-1,2,4-triazole-3,5-dione

Chemical & Physical Properties

[ Density]:
1.5±0.1 g/cm3

[ Boiling Point ]:
263.8±23.0 °C at 760 mmHg

[ Melting Point ]:
165-170 °C (dec.)(lit.)

[ Molecular Formula ]:
C8H5N3O2

[ Molecular Weight ]:
175.144

[ Flash Point ]:
113.3±22.6 °C

[ Exact Mass ]:
175.038177

[ PSA ]:
62.10000

[ LogP ]:
-0.25

[ Vapour Pressure ]:
0.0±0.5 mmHg at 25°C

[ Index of Refraction ]:
1.701

[ Storage condition ]:
2-8°C

MSDS

Click to get detail MSDS

Safety Information

[ Safety Phrases ]:
S22-S24/25

[ RIDADR ]:
NONH for all modes of transport

[ WGK Germany ]:
3

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 4-Phenylurazole
  • Phenylisocyanate
  • ethyl 3-(N-phenylcarbamoyl)carbazate
  • 1-(2-hydroxy-5-methylphenyl)-4-phenyl-1,2,4-triazolidine-3,5-dione
  • 2-diphenylmethyliumyl-3,5-dioxo-4-phenyl-1,2,4-triazolidin-1-ide
  • 9-methyl-14-phenyl-9H-9,10-[1,2]epitriazoloanthracene-13,15(10H,14H)-dione

DownStream

  • 3,7-diphenyl-1,3,5,7-tetrazabicyclo[3.3.0]octane-2,4,6,8-tetrone
  • Phenylisocyanate
  • adamantanone
  • 4-Phenylurazole
  • 1,3-Diphenylurea
  • 3,5-dioxo-N,4-diphenyl-1,2,4-triazolidine-1-carboxamide
  • N-BOC-aniline

Articles

Development and optimization of an LC-MS/MS-based method for simultaneous quantification of vitamin D2 , vitamin D3 , 25-hydroxyvitamin D2 and 25-hydroxyvitamin D3.

J. Sep. Sci. 34(1) , 11-20, (2011)

Simultaneous and accurate measurement of vitamin D and 25-hydroxyvitamin D in biological samples is a barrier limiting our ability to define "optimal" vitamin D status. Thus, our goal was to optimize ...

Examination of structurally selective derivatization of vitamin D(3) analogues by electrospray mass spectrometry.

J. Mass Spectrom. 36(1) , 71-8, (2001)

The structural specificity of vitamin D derivatization by PTAD (4-phenyl-1,2,4-triazoline-3,5-dione) was probed using synthetic analogues and ion trap mass spectrometry. EB 1089, a vitamin D(3) analog...


More Articles

Related Compounds

  • 4-[3-(trifluoromethyl)phenyl]-1,2,4-triazole-3,5-dione
  • 4-(4-BROMO-PHENYL)-[1,2,4]TRIAZOLE-3,5-DIONE
  • 4-(4-METHOXY-PHENYL)-[1,2,4]TRIAZOLE-3,5-DIONE
  • 4-(4-CHLORO-PHENYL)-[1,2,4]TRIAZOLE-3,5-DIONE
  • 4-(4-FLUORO-PHENYL)-[1,2,4]TRIAZOLE-3,5-DIONE
  • 4-[4-(dimethylamino)phenyl]-1,2,4-triazole-3,5-dione
  • 2-(1-(2-fluoroethyl)-3-(thiophen-2-yl)-1H-pyrazol-5-yl)ethan-1-amine
  • {[1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methyl}(propyl)amine
  • 2-({[1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methyl}amino)ethan-1-ol
  • butyl({[1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methyl})amine
  • 2-(1-(prop-2-yn-1-yl)-3-(thiophen-2-yl)-1H-pyrazol-5-yl)ethan-1-amine
  • 2-(1-(difluoromethyl)-3-(thiophen-2-yl)-1H-pyrazol-5-yl)ethan-1-amine
  • 1-(cyclopropylmethyl)-3-(thiophen-2-yl)-1H-pyrazole-5-carbaldehyde
  • 1-isobutyl-3-(thiophen-2-yl)-1H-pyrazole-5-carbaldehyde
  • 1-(2-fluoroethyl)-3-(thiophen-2-yl)-1H-pyrazole-5-carbaldehyde
  • 1-(2-methoxyethyl)-3-(thiophen-2-yl)-1H-pyrazole-5-carbaldehyde
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