4-methyl-1H-1,2,3-triazole

Basic Information

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CAS Number

27808-16-8

Molecular Formula

C3H5N3

Molecular Weight

83.09 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Melting Point

36-36.5 ºC

Boiling Point

108-109 ºC (25 Torr)

Flash Point

98.7±11.7 ºC,

SMILES

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CC1=NNN=C1

InChI

InChI=1S/C3H5N3/c1-3-2-4-6-5-3/h2H,1H3,(H,4,5,6)

InChIKey

GVSNQMFKEPBIOY-UHFFFAOYSA-N

LogP

0.11311999999999994

Topological Polar Surface Area

41.57 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

45.3

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H332 Harmful if inhaled
Acute toxicity, inhalation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

4-Methyl-1H-1,2,3-triazole
5-Methyl-1H-1,2,3-triazole
4-methyl-1,2,3-triazol
4-methyl-1,2,3-triazole
4-methyl-1,8-naphthyridine-2,7-diol
methyltriazole
CS-W004917
4-methyl-2H-1,2,3-Triazole
4-methyl-2H-triazole
1H-1,2,3-Triazole, 4-methyl-
J-515688
GVSNQMFKEPBIOY-UHFFFAOYSA-N
5-METHYL-1H-1,2,3-TRIAZOLE
Z1255358215
27808-16-8
DTXSID70950487
DB-065773
5-methyltriazole
4-methyl-1H-1,2,3-triazole
MFCD14706836
1H-1,2,3-Triazole, 5-methyl-
MFCD20482150
SY105113
AKOS025394596
DB-067827
4-METHYL-1,2,3-TRIAZOLE
D94600
AKOS015842186
4-Methyl-1H-1 pound not2 pound not3-triazole
4-methyl-[1,2,3]-triazole
EN300-152286

MDL Number

MFCD14706836

Customs Code

2933990090

FAQ

What are the physical and chemical properties of 4-methyl-1H-1,2,3-triazole (CAS: 27808-16-8)?

4-methyl-1H-1,2,3-triazole is a white to off-white crystalline solid with a molecular weight of approximately 95.12 g/mol. It is slightly soluble in water but soluble in organic solvents such as ethanol and acetone. It reacts readily with strong acids to release hydrogen gas. It also shows good reactivity towards aldehydes and ketones in condensation reactions.

How is 4-methyl-1H-1,2,3-triazole (CAS: 27808-16-8) typically synthesized?

4-methyl-1H-1,2,3-triazole is typically synthesized via the reaction of 4-methylthioacetaldehyde with sodium hydroxide in an aqueous medium. This reaction leads to the formation of the triazole ring through a sequence of nucleophilic substitution and elimination steps. Alternatively, it can be prepared by reacting methyl isocyanoacetate with methyl isothiocyanate followed by hydrolysis.

What industries use 4-methyl-1H-1,2,3-triazole (CAS: 27808-16-8)?

4-methyl-1H-1,2,3-triazole is widely used in the pharmaceutical industry for the synthesis of antifungal drugs and as a precursor in organic synthesis. It is also utilized in the polymer industry as a stabilizer and crosslinking agent. Additionally, it finds applications in the production of sensors, semiconductors, and as a reducing agent in various chemical processes.

What precautions should be taken when handling 4-methyl-1H-1,2,3-triazole (CAS: 27808-16-8)?

When handling 4-methyl-1H-1,2,3-triazole, ensure the use of appropriate personal protective equipment (PPE), such as gloves, goggles, and a lab coat. Work in a well-ventilated area or a fume hood to prevent inhalation of dust and fumes. Dispose of any waste according to local regulations. Refer to the Safety Data Sheet (SDS) for detailed safety information and emergency procedures.