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

Basic Information

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CAS Number

6086-21-1

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

16°C

Boiling Point

177-178℃1.100

Density

1.465

Flash Point

81℃(177℉)(lit.)

Refractive Index

1.4705

SMILES

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CN1C=NC=N1

InChI

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

InChIKey

MWZDIEIXRBWPLG-UHFFFAOYSA-N

LogP

-0.18490000000000006

Topological Polar Surface Area

30.71 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

45.3

Safety Information

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Hazard Statement

H227 Combustible liquid
Flammable liquids

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

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

Hazard Class

Class IRRITANT Class IRRITANT

Class FLAMMABLE Class FLAMMABLE

Synonyms & References

English

6086-21-1
EN300-27115
FT-0600358
AM20100479
CS-D1367
A832927
1-Methyl-1H-1,2,4-triazole
BCP18633
1H-1,2,4-Triazole, 1-methyl-
AKOS001369097
Z237493308
1-Methyl-1,2,4-triazole
SY046529
MFCD01076192
InChI=1/C3H5N3/c1-6-3-4-2-5-6/h2-3H,1H
DTXSID20209699
1-methyl-1H-[1,2,4]triazole
1-Methyl-1,2,4-triaz
1-Methyl,-1,2,4-Triazole
MWZDIEIXRBWPLG-UHFFFAOYSA-N
PubChem22534
KSC495K1J
WT1486
BBL100780
STL554574
VZ21515
TRA0007834
RP18402
BC207617
C

MDL Number

MFCD01076192

FAQ

What is 1-Methyl-1H-1,2,4-triazole (CAS: 6086-21-1)?

1-Methyl-1H-1,2,4-triazole is a heterocyclic compound with the molecular formula C4H5N3. It is characterized by its five-membered heterocyclic ring containing three nitrogen atoms. This compound is widely used in various applications due to its unique chemical properties.

What are the main uses of 1-Methyl-1H-1,2,4-triazole (CAS: 6086-21-1)?

1-Methyl-1H-1,2,4-triazole is primarily used in pharmaceuticals as a precursor in the synthesis of antifungal agents. It also finds applications in the textile industry for its antimicrobial properties and in research as a ligand in coordination chemistry.

Is 1-Methyl-1H-1,2,4-triazole (CAS: 6086-21-1) safe?

1-Methyl-1H-1,2,4-triazole is generally considered safe when handled with appropriate precautions. It is important to use proper protective equipment, avoid inhalation, and prevent skin contact. Storage in a cool, dry, and well-ventilated area is recommended to minimize potential hazards.

How should 1-Methyl-1H-1,2,4-triazole (CAS: 6086-21-1) be stored?

1-Methyl-1H-1,2,4-triazole should be stored in a cool, dry, and well-ventilated area away from direct sunlight and sources of ignition. The compound should be kept in a tightly sealed container to prevent moisture absorption. Avoid storing it near incompatible materials such as strong acids, bases, or oxidizers.