CAS 4233-33-4|4-Phenyl-1,2,4-triazole-3,5-dione|4-phenyl-1,2,4-triazole-3,5-dione|4-phenyl-4,5-dihydro-3H-1,2,4-triazole-3,5-dione|PTAD|4-Phenyl-1,2,4-triazoline-3,5-dione|4-苯基-1,2,4-三唑啉-3,5-二...

General Information

Structure

Molecular Formula

C₈H₅N₃O₂

Molecular Mass

175.1442

Exact Mass

175.03817642

Charge

InChI

InChI=1S/C8H5N3O2/c12-7-9-10-8(13)11(7)6-4-2-1-3-5-6/h1-5H

InChIKey

ISULLEUFOQSBGY-UHFFFAOYSA-N

Canonic Smiles

O=C1N=NC(=O)N1c1ccccc1

Isomeric Smiles

c1ccc(cc1)N1C(=O)N=NC1=O

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

1.0545413

LogD (pH = 7.4)

1.0545413

Log P

1.0545413

Molar Refractivity

42.8595

Polarizability

16.310202

Polar Surface Area

62.1

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Synonyms

4-Phenyl-1,2,4-triazole-3,5-dionePTAD4-Phenyl-1,2,4-triazoline-3,5-dione4-苯基-1,2,4-三唑啉-3,5-二酮4-苯基-3H-1,2,4-三唑-3,5(4H)-二酮Azodicarboxylic Acid N-PhenylimideN-Phenylazodicarboxylic Imide4-Phenyl-1,2,3-triazoline-3,5-dioneN-Phenyltriazolinedione4-Phenyl-3H-1,2,4-triazole-3,5(4H)-dione4-Phenyl-Δ1-1,2,4-triazoline-3,5-dioneNSC 150362N-Phenylazodicarboximide4-Phenyl-3,5-Dioxotriazole4-Phenyldehydrourazole

IUPAC Traditional name

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

IUPAC name

4-phenyl-4,5-dihydro-3H-1,2,4-triazole-3,5-dione

Names and Identifiers

Registration numbers

EC Number

224-191-7

PubChem SID

2485696124887423162219803

Beilstein Number

CAS Number

MDL Number

PubChem CID

Wikipedia Title

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

Chemspider ID

70304

Registration numbers

Properties

Product Information

Safety Information

German water hazard class

Storage Temperature

2-8°C

Personal Protective Equipment

Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

MSDS Link

Download link

Refrigerator

Properties

Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

Wikipedia

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

Sigma Aldrich

280992

Application
An efficient and selective reagent for the oxidation of thiols to disulfides.1 Synthesis of urazoles via [3+2] cycloaddition with allylsilanes.2
Packaging
1, 5 g in glass bottle

79225

Application
The most reactive dienophile known

TRC

P337380

Azodicarbonyl reagent used in the methods for determining levels of 1,25 dihydroxyvitamin d2 and d3 in biological and food samples and dietary supplements.

Molecule Details

References

PubChem Literature

From Data Sources

• Aranov, P. K. et al.: Anal. Bioanal. Chem., 391, 1917 ( 2008),

References

Bioactivity

PubChem BioAssay

Bioactivity

Names and Identifiers

Synonyms

IUPAC Traditional name

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

IUPAC name

4-phenyl-4,5-dihydro-3H-1,2,4-triazole-3,5-dione

Registration numbers

EC Number

224-191-7

PubChem SID

2485696124887423162219803

Beilstein Number

CAS Number

MDL Number

PubChem CID

Wikipedia Title

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

Chemspider ID

70304

Molecule Details

Wikipedia

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

Sigma Aldrich

280992

Application
An efficient and selective reagent for the oxidation of thiols to disulfides.1 Synthesis of urazoles via [3+2] cycloaddition with allylsilanes.2
Packaging
1, 5 g in glass bottle

79225

Application
The most reactive dienophile known

TRC

P337380

Azodicarbonyl reagent used in the methods for determining levels of 1,25 dihydroxyvitamin d2 and d3 in biological and food samples and dietary supplements.

References

PubChem Literature

From Data Sources

• Aranov, P. K. et al.: Anal. Bioanal. Chem., 391, 1917 ( 2008),

Bioactivity

PubChem BioAssay

Properties

Product Information

Safety Information

German water hazard class

Storage Temperature

2-8°C

Personal Protective Equipment

Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

MSDS Link

Download link

Refrigerator

Molecule

ID:125453