4-Methyl-4H-1,2,4-triazole

4-Methyl-4H-1,2,4-triazole Property

Melting point:

90-92℃

Boiling point:

175℃

Density 

1.17

Flash point:

60℃

storage temp. 

2-8°C

pka

3.13±0.10(Predicted)

Appearance

White to off-white Solid

InChI

InChI=1S/C3H5N3/c1-6-2-4-5-3-6/h2-3H,1H3

InChIKey

XILPCSMEKCBYFO-UHFFFAOYSA-N

SMILES

N1=CN(C)C=N1

Hazard and Precautionary Statements (GHS)

Symbol(GHS)

Signal word

Warning

Hazard statements

H302Harmful if swallowed

H315Causes skin irritation

H319Causes serious eye irritation

H335May cause respiratory irritation

Precautionary statements

P264Wash hands thoroughly after handling.

P264Wash skin thouroughly after handling.

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

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

P301+P312IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.

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

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

P321Specific treatment (see … on this label).

P330Rinse mouth.

P332+P313IF SKIN irritation occurs: Get medical advice/attention.

P362Take off contaminated clothing and wash before reuse.

P501Dispose of contents/container to..…

4-Methyl-4H-1,2,4-triazole Chemical Properties,Usage,Production

Synthesis

Step 1. 250 mmol of dimethyl carbonate was slowly added to a mixture containing 50 mmol of 1,2,4-triazole and 12.5 mmol of sodium carbonate under nitrogen protection to form a suspension. Subsequently, the reaction system was heated to 120 °C and refluxed with stirring at this temperature for 16 hours. After completion of the reaction, the volatile components were removed under reduced pressure. The residue was washed with chloroform and filtered to remove insoluble impurities. The filtrate was concentrated by rotary evaporation to give 4.74 g of 4-methyl-1,2,4-triazole as a colorless liquid.

References

[1] Patent: CN108250227, 2018, A. Location in patent: Paragraph 0025; 0028