Products Categories
CAS No.: | 4233-33-4 |
---|---|
Name: | 4-PHENYL-1,2,4-TRIAZOLINE-3,5-DIONE |
Article Data: | 75 |
Molecular Structure: | |
Formula: | C8H5N3O2 |
Molecular Weight: | 175.147 |
Synonyms: | 4-Phenyl-1,2,4-triazoline-3,5-dione;4-Phenyl-3H-1,2,4-triazole-3,5(4H)-dione;3H-1,2,4-Triazole-3,5(4H)-dione,4-phenyl-;4-phenyl-1,2,4-triazole-3,5-dione; |
EINECS: | 224-191-7 |
Density: | 1.471 g/cm3 |
Melting Point: | 165-170 °C (dec.)(lit.) |
Boiling Point: | 263.812 °C at 760 mmHg |
Flash Point: | 113.35 °C |
Safety: | 22-24/25 |
PSA: | 62.10000 |
LogP: | 1.13500 |
4-Phenylurazole
4-Phenyl-1,2,4-triazolidine-3,5-dione
Conditions | Yield |
---|---|
With tetrabutylammonium periodite In acetone at 20℃; for 0.5h; | 100% |
With SiO2-supported HNO3 In dichloromethane at 20℃; for 0.583333h; chemoselective reaction; | 99% |
With chlorine In ethyl acetate for 18h; | 98% |
10,11-Dimethylen-4-phenyl-2,4,6-triazatricyclo<5.2.2.02,6>undec-8-en-3,5-dion
4-methyl-1,2,4-triazoline-3,5-dione
A
4-Phenyl-1,2,4-triazolidine-3,5-dione
B
1,2,3,4-Tetrahydro-N-phenyl-2,3-phthalazindicarboximid
C
1,2,3,4-Tetrahydro-N-methyl-2,3-phthalazindicarboximid
Conditions | Yield |
---|---|
In dichloromethane -78 deg C to 10 deg C; | A n/a B 2% C 95% |
4-Phenyl-1,2,4-triazolidine-3,5-dione
Conditions | Yield |
---|---|
With tert-butylhypochlorite; sodium carbonate; sodium sulfate In ethyl acetate at 0℃; |
4-Phenyl-1,2,4-triazolidine-3,5-dione
Conditions | Yield |
---|---|
With tert-butylhypochlorite In ethyl acetate for 0.666667h; Ambient temperature; |
4-Phenyl-1,2,4-triazolidine-3,5-dione
Conditions | Yield |
---|---|
With iodine |
Conditions | Yield |
---|---|
Multi-step reaction with 3 steps 1: benzene / 20-25 deg C, 2 h; reflux, 2 h 2: KOH / H2O / 2 h 3: anhydrous Na2SO4, N2O4 / CH2Cl2 / 0 °C View Scheme |
ethyl 2-(tert-butylcarbamoyl)hydrazine-1-carboxylate
4-Phenyl-1,2,4-triazolidine-3,5-dione
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: KOH / H2O / 2 h 2: anhydrous Na2SO4, N2O4 / CH2Cl2 / 0 °C View Scheme |
2-diphenylmethyliumyl-3,5-dioxo-4-phenyl-1,2,4-triazolidin-1-ide
4-Phenyl-1,2,4-triazolidine-3,5-dione
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: atmospheric moisture / storage conditions 2: t-butyl hypochlorite / CH2Cl2 / 0 °C View Scheme |
C23H17N3O2
4-Phenyl-1,2,4-triazolidine-3,5-dione
Conditions | Yield |
---|---|
Multi-step reaction with 3 steps 1: chloroform-d1 / 50 °C / Darkness 2: chloroform-d1 / 25 °C / Darkness 3: chloroform-d1 / 50 °C / Darkness View Scheme |
Conditions | Yield |
---|---|
In chloroform-d1 at 50℃; Equilibrium constant; Temperature; retro-Diels-Alder Reaction; Darkness; | |
In toluene at 25℃; under 760.051 Torr; Equilibrium constant; |
What can I do for you?
Get Best Price
The 4-Phenyl-1,2,4-triazoline-3,5-dione, with the CAS registry number 4233-33-4 and EINECS registry number 224-191-7, has the systematic name of 4-phenyl-3H-1,2,4-triazole-3,5(4H)-dione. And the molecular formula of the chemical is C8H5N3O2. What's more, while dealing with this chemical, you should be cautious: Do not breathe dust and avoid contact with skin and eyes.
The characteristics of this chemical are as followings: (1)ACD/LogP: 0.82; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.821; (4)ACD/LogD (pH 7.4): 0.821; (5)ACD/BCF (pH 5.5): 2.475; (6)ACD/BCF (pH 7.4): 2.475; (7)ACD/KOC (pH 5.5): 66.585; (8)ACD/KOC (pH 7.4): 66.585; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 62.1 Å2; (13)Index of Refraction: 1.701; (14)Molar Refractivity: 46.081 cm3; (15)Molar Volume: 119.083 cm3; (16)Polarizability: 18.268×10-24cm3; (17)Surface Tension: 65.373 dyne/cm; (18)Density: 1.471 g/cm3; (19)Flash Point: 113.35 °C; (20)Enthalpy of Vaporization: 50.166 kJ/mol; (21)Boiling Point: 263.812 °C at 760 mmHg; (22)Vapour Pressure: 0.01 mmHg at 25°C.
Uses of 4-Phenyl-1,2,4-triazoline-3,5-dione: It can react with 2-vinyl-thiophene to produce 2-phenyl-5,9a-dihydro-thieno[3,2-c][1,2,4]triazolo[1,2-a]pyridazine-1,3-dione. This reaction will need reagent dioxane. The reaction time is 0.5 hours with ambient temperature, and the yield is about 94%.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: c1ccc(cc1)N2C(=O)N=NC2=O
(2)InChI: InChI=1/C8H5N3O2/c12-7-9-10-8(13)11(7)6-4-2-1-3-5-6/h1-5H
(3)InChIKey: ISULLEUFOQSBGY-UHFFFAOYAD