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

Basic Information

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CAS Number

6818-99-1

Molecular Formula

C2H2ClN3

Molecular Weight

103.51 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Agricultural Chemicals Pesticides Herbicides

Water Treatment Chemicals Disinfectants Chlorine Compounds

Basic Physical Properties

Melting Point

167.0 to 171.0 deg-C

Boiling Point

127.1°C at 760 mmHg

Density

1.78

Flash Point

30.7°C

Solubility

Soluble in methanol.

Refractive Index

1.706

SMILES

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C1=NNC(=N1)Cl

InChI

InChI=1S/C2H2ClN3/c3-2-4-1-5-6-2/h1H,(H,4,5,6)

InChIKey

QGOUKZPSCTVYLX-UHFFFAOYSA-N

LogP

0.4581

Topological Polar Surface Area

41.57 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

48.1

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

Synonyms & References

English

NSC-153381
3-Chloro-1H-1,2,4-triazole
NSC153381
NSC 153381
1H-1,4-Triazole, 3-chloro-
1H-1,2,4-Triazole, 3-chloro-
AC-25750
AKOS001013341
O11392
MS-2906
Z56788868
C3013
EN300-91989
s-Triazole, 3-chloro-
W-104687
EINECS 229-892-1
3-Chloro-1H-1,4-triazole
5-chloro-1H-1,2,4-triazole
64304-35-4
SY031837
3-Chloro-[1,2,4]TRIAZOLE
3-chloro-1H-(1,2,4)triazole
5-chloro-1,2,4-triazole
SCHEMBL9615533
MFCD00128812
C2H2ClN3
15182-43-1
3-chloro-1H-[1,2,4]triazole
CS-W011303
3-Chloro-1,2,4-triazole
3-Chloro-s-triazole

MDL Number

MFCD00128812

Customs Code

2933990090

FAQ

What is 3-Chloro-1H-1,2,4-triazole (CAS: 6818-99-1)?

3-Chloro-1H-1,2,4-triazole is a heterocyclic organic compound with the chemical formula C3H4ClN4. It is a white crystalline solid with a distinctive odor. This compound is known for its stability and is used in various applications due to its chemical properties.

What are the main uses of 3-Chloro-1H-1,2,4-triazole (CAS: 6818-99-1)?

3-Chloro-1H-1,2,4-triazole is primarily used in the synthesis of pharmaceuticals, particularly as a precursor in the production of antifungal drugs. It is also used in the production of herbicides and in research for its antimicrobial properties.

Is 3-Chloro-1H-1,2,4-triazole (CAS: 6818-99-1) safe?

3-Chloro-1H-1,2,4-triazole is generally considered safe for its intended uses, but it should be handled with caution. It is important to follow safety guidelines, including the use of appropriate personal protective equipment (PPE) such as gloves and goggles, and to store it in a well-ventilated area away from sources of heat and ignition.

How should 3-Chloro-1H-1,2,4-triazole (CAS: 6818-99-1) be stored?

3-Chloro-1H-1,2,4-triazole should be stored in a cool, dry place away from direct sunlight and heat sources. It should be kept in a tightly sealed container to prevent contamination and degradation. Proper storage ensures its stability and safety during use.