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

Basic Information

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CAS Number

7170-01-6

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

Physical State

White to Yellow Solid

Melting Point

92.0 to 96.0 deg-C

Boiling Point

265°C

Density

1.178

Flash Point

114.7°C

Refractive Index

1.527

SMILES

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CC1=NC=NN1

InChI

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

InChIKey

PZKFSRWSQOQYNR-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

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

AMY10447
A837295
NSC 202575
3-Methyl-4H-1,2,4-triazole
DTXSID70878692
BP-20323
3-Methyl-1,2,4-1H-triazole
BCP08231
CS-M1664
AC-25500
SY025686
Z939944658
3-Methyl-4H-1,4-triazole
3-Methyl-1H-1 pound not2 pound not4-triazole
InChI=1/C3H5N3/c1-3-4-2-5-6-3/h2H,1H3,(H,4,5,6
AKOS005073481
AKOS032949755
7170-01-6
AKOS005168310
3-Methyl-1H-1,2,4-triazole
SB40511
MFCD00233931
3-methyl-1,2,4-triazol
3-Methyl-1H-1,2,4-trizole
FT-0601853
CHEMBL1935517
3-Methyl-1H-1,2,4-triazole, AldrichCPR
1H-1,2,4-Triazole, 5-methyl-
NSC202575
5-methyl-1 h -1,2,4-triazole
NCGC00342622-01

MDL Number

MFCD00233931

Customs Code

2933990090

FAQ

What are the physical and chemical properties of 5-Methyl-1H-1,2,4-triazole (CAS: 7170-01-6)?

5-Methyl-1H-1,2,4-triazole is a white crystalline solid with a molecular weight of approximately 89.11 g/mol. It has a melting point of 138-139°C and is slightly soluble in water. Chemically, it is highly reactive, particularly in nucleophilic substitution reactions. It can form complexes with various metal ions and exhibits good stability under normal conditions.

How is 5-Methyl-1H-1,2,4-triazole (CAS: 7170-01-6) typically synthesized?

5-Methyl-1H-1,2,4-triazole is commonly synthesized via the Biginelli reaction, where methyl acetoacetate, urea, and an appropriate aldehyde react under basic conditions. The reaction typically yields a high purity product with good selectivity and high yield. Other methods include catalytic hydrogenation of 5-methyl-1,2,4-triazole-3-carboxaldehyde.

What industries use 5-Methyl-1H-1,2,4-triazole (CAS: 7170-01-6)?

5-Methyl-1H-1,2,4-triazole finds applications in various industries. It is used in pharmaceuticals for synthesizing drugs, in polymers as a stabilizer, in sensors as a reagent, and in semiconductors as a dopant. It also plays a role in the development of new materials and in catalysis.

What precautions should be taken when handling 5-Methyl-1H-1,2,4-triazole (CAS: 7170-01-6)?

When handling 5-Methyl-1H-1,2,4-triazole, it is important to wear appropriate personal protective equipment (PPE) including gloves, safety goggles, and lab coat. Work should be conducted in a well-ventilated area or fume hood. Spills should be carefully cleaned up using appropriate absorbents. Always refer to the Safety Data Sheet (SDS) for detailed handling instructions and emergency procedures.