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

Basic Information

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CAS Number

10570-40-8

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

90-92 ºC

Boiling Point

175 ºC

Flash Point

60 ºC

SMILES

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CN1C=NN=C1

InChI

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

InChIKey

XILPCSMEKCBYFO-UHFFFAOYSA-N

LogP

-0.18490000000000018

Topological Polar Surface Area

30.71 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

39.3

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

4H-1,2,4-Triazole, 4-methyl-
XILPCSMEKCBYFO-UHFFFAOYSA-N
4-Methyl-1,2,4-triazole
AKOS017269860
MFCD00490021
CS-0040088
AB06345
DTXSID10147258
SY116763
A906034
J-515750
InChI=1/C3H5N3/c1-6-2-4-5-3-6/h2-3H,1H
10570-40-8
AM84325
FK-0046
1-methyl-1,3,4-triazole
4-Methyl-4H-1,2,4-triazole
EN300-67325
Z2216303087
4H-1,2,4-Triazole,4-methyl-
4-methyl-1,2,4-triazole
PubChem24226
WT1489
LS20844
CM10040
RP18401
AK321144
H112872

MDL Number

MFCD00490021

FAQ

What regulatory guidelines apply to 4-Methyl-4H-1,2,4-triazole (CAS: 10570-40-8)?

4-Methyl-4H-1,2,4-triazole (CAS: 10570-40-8) falls under the regulatory guidelines of the Globally Harmonized System of Classification and Labelling of Chemicals (GHS) and is subject to the Registration, Evaluation, Authorisation and Restriction of Chemicals (REACH) regulations in the European Union. In the United States, it is regulated by the Environmental Protection Agency (EPA) and the Food and Drug Administration (FDA) depending on its intended use.

Are there alternatives to 4-Methyl-4H-1,2,4-triazole (CAS: 10570-40-8) in synthesis?

In the synthesis of certain pharmaceuticals and agrochemicals, 4-Methyl-4H-1,2,4-triazole (CAS: 10570-40-8) can be replaced by other heterocyclic compounds such as imidazole or benzotriazole, which offer similar reactivity but potentially different synthetic pathways and properties.

What is the market or research trend for 4-Methyl-4H-1,2,4-triazole (CAS: 10570-40-8)?

The market for 4-Methyl-4H-1,2,4-triazole (CAS: 10570-40-8) is growing due to its applications in the development of antifungal agents and agricultural fungicides. Research trends are focusing on its efficacy and the development of more potent derivatives with reduced toxicity. Additionally, there is increasing interest in its role in controlled-release formulations and its use in biocatalysis.

How should waste containing 4-Methyl-4H-1,2,4-triazole (CAS: 10570-40-8) be handled?

Waste containing 4-Methyl-4H-1,2,4-triazole (CAS: 10570-40-8) should be collected in appropriate containers and stored under proper conditions to prevent degradation or reaction with other substances. It should be disposed of through incineration or professional waste disposal services to ensure compliance with environmental regulations. Proper protective measures, such as gloves and goggles, should be worn during handling and disposal to protect against potential skin or eye irritation.