5-(Chloromethyl)-2,4-dihydro-3H-1,2,4-triazol-3-one

Basic Information

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CAS Number

252742-72-6

Molecular Formula

C3H4ClN3O

Molecular Weight

133.54 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Agricultural Chemicals Pesticides Herbicides

Water Treatment Chemicals Coagulants and Flocculants Inorganic Coagulants

Water Treatment Chemicals Disinfectants Chlorine Compounds

Basic Physical Properties

Melting Point

199°C

Boiling Point

426°C at 760 mmHg

SMILES

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C(C1=NNC(=O)N1)Cl

InChI

InChI=1S/C3H4ClN3O/c4-1-2-5-3(8)7-6-2/h1H2,(H2,5,6,7,8)

InChIKey

ZLRBJVJEQXBAAI-UHFFFAOYSA-N

LogP

-0.16320000000000012

Topological Polar Surface Area

61.54 Å²

Hydrogen Bond Donor/Acceptor

2 / 4

Complexity

144

Safety Information

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Hazard Statement

H290 May be corrosive to metals
Corrosive to Metals

H314 Causes severe skin burns and eye damage
Skin corrosion/irritation

Hazard Class

Class 8 Class 8

Synonyms & References

English

5-chloromethyl-2,4-dihydro-1,2,4-triazol-3-one
3-Chloromethyl-1,2,4,-triazolin-5-one
5-(chloromethyl)-2H-1,2,4-triazol-3(4H)-one;3-(Chloromethyl)-1H-1,2,4-triazol-5(4H)-one
07IM7R18AS
AKOS017391668
Chloromethyl)-1,2-dihydro-1,2,4-triazol-3-one
3-CHLOROMETHYL-1,2,4-TRIAZOL-5-ONE
ZLRBJVJEQXBAAI-UHFFFAOYSA-N
5-Chloromethyl-2H-1,2,4-triazolin-3-one
AKOS015850605
DS-15262
DTXSID10435925
BCP05840
MFCD07776630
CS-W018467
3-CHLOROMETHYL-1,2,4-TRIAZOLIN-5-ONE
UNII-07IM7R18AS
3-(chloromethyl)-1,4-dihydro-1,2,4-triazol-5-one
A18529
C3H4ClN3O
SCHEMBL265211
FT-0603774
3-(Chloromethyl)-1H-1,2,4-triazol-5(4H)-one
SY030348
5-(chloromethyl)-2,4-dihydro-3H-1,2,4-triazol-3-one
5-(chloromethyl)-1,2-dihydro-1,2,4-triazol-3-one
AKOS005198858
252742-72-6
C3094
5-(chloromethyl)-1,2-dihydro-3H-1,2,4-Triazol-3-one
EN300-73772

MDL Number

MFCD07776630

FAQ

What is 5-(Chloromethyl)-2,4-dihydro-3H-1,2,4-triazol-3-one (CAS: 252742-72-6)?

5-(Chloromethyl)-2,4-dihydro-3H-1,2,4-triazol-3-one, with the CAS number 252742-72-6, is a synthetic organic compound belonging to the triazole family. It is characterized by its chloromethyl functional group attached to a 1,2,4-triazole ring. This compound is known for its reactivity and is commonly used in chemical synthesis, particularly in the development of pharmaceuticals and agrochemicals. Its molecular formula is C4H5ClN4O.

What are the main uses of 5-(Chloromethyl)-2,4-dihydro-3H-1,2,4-triazol-3-one (CAS: 252742-72-6)?

5-(Chloromethyl)-2,4-dihydro-3H-1,2,4-triazol-3-one is primarily used in the synthesis of pharmaceutical compounds, especially those with antifungal and antiviral properties. It also finds applications in industrial chemistry and research as an intermediate for producing various derivatives. Due to its reactivity, it is a key component in the development of agrochemicals and other specialty chemicals.

Is 5-(Chloromethyl)-2,4-dihydro-3H-1,2,4-triazol-3-one (CAS: 252742-72-6) safe?

The safety of 5-(Chloromethyl)-2,4-dihydro-3H-1,2,4-triazol-3-one depends on its handling and exposure conditions. As a reactive chemical, it requires proper protective equipment such as gloves and goggles during handling. It is important to follow safety standards and guidelines to minimize risks, especially in laboratory and industrial settings. Always consult safety data sheets (SDS) for detailed information.

How should 5-(Chloromethyl)-2,4-dihydro-3H-1,2,4-triazol-3-one (CAS: 252742-72-6) be stored?

5-(Chloromethyl)-2,4-dihydro-3H-1,2,4-triazol-3-one should be stored in a cool, dry, and well-ventilated area, away from light. It is best kept in a sealed container to prevent moisture and air exposure. Ensure storage conditions are below 25°C and maintain low humidity levels to preserve its stability and chemical integrity.