(1-Methyl-1H-[1,2,4]triazol-3-yl)-methanol Property

Boiling point:

296.8±42.0 °C(Predicted)

Density 

1.33±0.1 g/cm3(Predicted)

storage temp. 

under inert gas (nitrogen or Argon) at 2-8°C

pka

13.16±0.10(Predicted)

InChI

InChI=1S/C4H7N3O/c1-7-3-5-4(2-8)6-7/h3,8H,2H2,1H3

InChIKey

WEDYTSQNYJKOPC-UHFFFAOYSA-N

SMILES

N1(C)C=NC(CO)=N1

Safety

HazardClass 

IRRITANT

HS Code 

2933998090

Hazard and Precautionary Statements (GHS)

Symbol(GHS)

Signal word

Danger

Hazard statements

H301Toxic if swalloed

H311Toxic in contact with skin

H331Toxic if inhaled

Precautionary statements

P261Avoid breathing dust/fume/gas/mist/vapours/spray.

P264Wash hands thoroughly after handling.

P264Wash skin thouroughly after handling.

P270Do not eat, drink or smoke when using this product.

P271Use only outdoors or in a well-ventilated area.

P280Wear protective gloves/protective clothing/eye protection/face protection.

P302+P352IF ON SKIN: wash with plenty of soap and water.

P304+P340IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.

P310Immediately call a POISON CENTER or doctor/physician.

P330Rinse mouth.

P361Remove/Take off immediately all contaminated clothing.

P403+P233Store in a well-ventilated place. Keep container tightly closed.

P405Store locked up.

P501Dispose of contents/container to..…

(1-Methyl-1H-[1,2,4]triazol-3-yl)-methanol Chemical Properties,Usage,Production

Synthesis

153.1 g (0.443 mol, 1.0 eq) of N-formyl-2-trityloxyacetamide was added to a 1L three-necked flask with a mechanical stirrer and a thermometer.30.6 g (0.664 mol, 1.5 eq) of methyl hydrazine and 800 mL of chloroform, stirring was started, 1.5 g (8.9 mmol, 0.02 eq) of p-toluenesulfonic acid was added, and the mixture was stirred at room temperature for 4 h. The remaining material in the HPLC control was less than 1 per cent.225mL2mol/L hydrochloric acid, stirring at room temperature for 2 hours, saturated sodium carbonate solution to adjust the pH value of 6-7, layering, the aqueous layer extracted with chloroform(100mL×2), the organic layer was combined with the solvent under reduced pressure to obtain a crude product. The crude product was recrystallized from ethanol/water (1:2), suction-filtered and dried.Colorless needle crystals (1-methyl-1H-[1,2,4]triazol-3-yl)-methanol 43.0 g, yield 85percent, purity 97.0percent (HPLC),Mp 73-75°C.