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Name	3-Hydroxy-1-phenyl-1,2,4-triazole	EINECS	224-187-5
CAS No.	4231-68-9	Density	1.32 g/cm³
PSA	50.94000	LogP	0.97290
Solubility	N/A	Melting Point	1.32 g/cmºC
Formula	C8H7 N3 O	Boiling Point	392.2 °C at 760 mmHg
Molecular Weight	161.163	Flash Point	191 °C
Transport Information	N/A	Appearance	White to pale yellow crystal powder.
Safety		Risk Codes	N/A
Molecular Structure		Hazard Symbols
Synonyms	1H-1,2,4-Triazol-3-ol,1-phenyl- (7CI); D3-1,2,4-Triazolin-5-one,2-phenyl- (8CI); 1-Phenyl-1,2,4-triazol-3-ol; 1-Phenyl-1,2,4-triazole-3-ol;1-Phenyl-3-hydroxy-1,2,4-triazole; 3-Hydroxy-1-phenyl-1,2,4-triazole;3-Hydroxy-1-phenyl-1H-1,2,4-triazole	Article Data	10

3-Hydroxy-1-phenyl-1,2,4-triazole Synthetic route

: 122-51-0
orthoformic acid triethyl ester

: 103-03-7
1-phenylsemicarbazide

: 4231-68-9
3-hydroxy-1-phenyl-1,2,4-1H-triazole

Conditions

Conditions	Yield
With toluene-4-sulfonic acid for 16h; steam bath temperature;	91%

: 100-63-0
phenylhydrazine

: 4231-68-9
3-hydroxy-1-phenyl-1,2,4-1H-triazole

Conditions

Conditions	Yield
With formic acid; sulfuric acid; urea In 5,5-dimethyl-1,3-cyclohexadiene

: 100-63-0
phenylhydrazine

A 1-phenyl-1-hydroxy-1,2,4-triazole: 1-phenyl-1-hydroxy-1,2,4-triazole

B: 4231-68-9
3-hydroxy-1-phenyl-1,2,4-1H-triazole

Conditions

Conditions	Yield
With formic acid; sulfuric acid; urea In hydrogenchloride; 5,5-dimethyl-1,3-cyclohexadiene

: 103-03-7
1-phenylsemicarbazide

: 4231-68-9
3-hydroxy-1-phenyl-1,2,4-1H-triazole

Conditions

Conditions	Yield
With formic acid; sulfuric acid

: 64-18-6
formic acid

: 103-03-7
1-phenylsemicarbazide

: 4231-68-9
3-hydroxy-1-phenyl-1,2,4-1H-triazole

Conditions

Conditions	Yield
With sulfuric acid In water at 90 - 125℃;
With sulfuric acid

: 64-18-6
formic acid

: 100-63-0
phenylhydrazine

: 57-13-6
urea

: 4231-68-9
3-hydroxy-1-phenyl-1,2,4-1H-triazole

Conditions

Conditions	Yield
Stage #1: phenylhydrazine; urea With hydrogenchloride In water at 135℃; for 4h; Stage #2: formic acid With sulfuric acid at 690℃; for 6h;

: 4231-68-9
3-hydroxy-1-phenyl-1,2,4-1H-triazole

2-chlorobenzyl halide: 2-chlorobenzyl halide

: 1332370-70-3
3-(2-chlorobenzyloxy)-1-phenyl-1H-1,2,4-triazole

Conditions

Conditions	Yield
Stage #1: 3-hydroxy-1-phenyl-1,2,4-1H-triazole With potassium carbonate In acetonitrile at 65℃; for 0.5h; pH=7.5 - 8.5; Stage #2: 2-chlorobenzyl halide With tetra-(n-butyl)ammonium iodide In acetonitrile at 70 - 75℃;	89%

: 4231-68-9
3-hydroxy-1-phenyl-1,2,4-1H-triazole

4-fluorobenzyl halide: 4-fluorobenzyl halide

: 1332370-68-9
3-(4-fluorobenzyloxy)-1-phenyl-1H-1,2,4-triazole

Conditions

Conditions	Yield
Stage #1: 3-hydroxy-1-phenyl-1,2,4-1H-triazole With potassium carbonate In acetonitrile at 65℃; for 0.5h; pH=7.5 - 8.5; Stage #2: 4-fluorobenzyl halide With tetra-(n-butyl)ammonium iodide In acetonitrile at 70 - 75℃;	89%

: 4231-68-9
3-hydroxy-1-phenyl-1,2,4-1H-triazole

2,4-difluorobenzyl halide: 2,4-difluorobenzyl halide

: 1332370-67-8
3-(2,4-difluorobenzyloxy)-1-phenyl-1H-1,2,4-triazole

Conditions

Conditions	Yield
Stage #1: 3-hydroxy-1-phenyl-1,2,4-1H-triazole With potassium carbonate In acetonitrile at 65℃; for 0.5h; pH=7.5 - 8.5; Stage #2: 2,4-difluorobenzyl halide With tetra-(n-butyl)ammonium iodide In acetonitrile at 70 - 75℃;	88%

: 4231-68-9
3-hydroxy-1-phenyl-1,2,4-1H-triazole

3-chlorobenzyl halide: 3-chlorobenzyl halide

: 1332370-71-4
3-(3-chlorobenzyloxy)-1-phenyl-1H-1,2,4-triazole

Conditions

Conditions	Yield
Stage #1: 3-hydroxy-1-phenyl-1,2,4-1H-triazole With potassium carbonate In acetonitrile at 65℃; for 0.5h; pH=7.5 - 8.5; Stage #2: 3-chlorobenzyl halide With tetra-(n-butyl)ammonium iodide In acetonitrile at 70 - 75℃;	87%

3-Hydroxy-1-phenyl-1,2,4-triazole Chemical Properties

Empirical Formula: C₈H₇N₃O
Molecular Weight: 161.1607 g/mol
EINECS: 224-187-5
Index of Refraction: 1.665
Density: 1.32 g/cm³
Flash Point: 191 °C
Melting point: 277-280 °C(lit.)
Appearance: Pale yellow crystals
Enthalpy of Vaporization: 66.7 kJ/mol
Boiling Point: 392.2 °C at 760 mmHg
Vapour Pressure: 1.03E-06 mmHg at 25 °C
Solubility: Soluble in dimethylformamide, slightly soluble in waterSensitive: Moisture sensitive
Structure of 3-Hydroxy-1-phenyl-1,2,4-triazole (CAS NO.4231-68-9):

IUPAC Name: 2-Phenyl-1H-1,2,4-triazol-5-one

3-Hydroxy-1-phenyl-1,2,4-triazole Uses

3-Hydroxy-1-phenyl-1,2,4-triazole (CAS NO.4231-68-9) has been used as a pesticide intermediate of Triazophos .

3-Hydroxy-1-phenyl-1,2,4-triazole Production

3-Hydroxy-1-phenyl-1,2,4-triazole (CAS NO.4231-68-9) has been obtained from the reaction of 1 - phenyl semicarbazide and Formic acid , and can also be used phenylhydrazine, urea and formic acid as raw materials by condensation and cyclization reaction to get it.

3-Hydroxy-1-phenyl-1,2,4-triazole Safety Profile

Hazard Codes: Xi
Hazard Note: Irritant

3-Hydroxy-1-phenyl-1,2,4-triazole Specification

3-Hydroxy-1-phenyl-1,2,4-triazole , its cas register number is 4231-68-9. It also can be called Phenyltriazolol ; 1-Phenyl-2H-1,2,4-triazol-3-one ; and 1-Phenyl-3-hydroxy-1,2,4-triazole .

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