8-Chloro-3-methyl[1,2,4]triazolo[4,3-a]pyrazine

Basic Information

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CAS Number

68774-78-7

Molecular Formula

C6H5ClN4

Molecular Weight

168.59 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

SMILES

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CC1=NN=C2N1C=CN=C2Cl

InChI

InChI=1S/C6H5ClN4/c1-4-9-10-6-5(7)8-2-3-11(4)6/h2-3H,1H3

InChIKey

RIWAMVRPNJEQJK-UHFFFAOYSA-N

LogP

1.0861199999999998

Topological Polar Surface Area

43.08 Å²

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

154

Synonyms & References

English

Z979438818
68774-78-7
8-chloro-3-methyl[1,2,4]triazolo[4,3-a]pyrazine
F8881-5527
BS-3633
AB44329
NSC 293353
AKOS005746493
MFCD08272087
DTXSID70315234
NSC293353
NSC-293353
SCHEMBL3123909
8-chloro-3-methyl-[1,2,4]triazolo[4,3-a]pyrazine
FT-0762473
8-chloro-3-methyl-1,2,4-Triazolo[4,3-a]pyrazine
CS-0071363
EN300-62151
SY067736
A866979
8-CHLORO-3-METHYL-[1,2,4]TRIAZOLO[4,3-A]PYRAZINE
8-Chloro-3-methyl-1,2,4-triazolo[4,3-a]pyrazine
(METHYL)TRIPHENYLPHOSPHONIUM IODIDE-D3
8-CHLORO-3-METHYL[1,2,4]TRIAZOLO[4,3-A]PYRAZINE
8-Chlor-3-methyl-s-triazolo<4,3-a>pyrazin

MDL Number

MFCD08272087

Customs Code

2933990090

FAQ

What are the physical and chemical properties of 8-Chloro-3-methyl[1,2,4]triazolo[4,3-a]pyrazine (CAS: 68774-78-7)?

8-Chloro-3-methyl[1,2,4]triazolo[4,3-a]pyrazine is a crystalline solid with a molecular weight of approximately 232.63 g/mol. It has a solubility of about 5 mg/L in water and is sparingly soluble in organic solvents. It exhibits moderate reactivity towards nucleophiles and bases, making it suitable for various synthetic transformations.

How is 8-Chloro-3-methyl[1,2,4]triazolo[4,3-a]pyrazine (CAS: 68774-78-7) typically synthesized?

8-Chloro-3-methyl[1,2,4]triazolo[4,3-a]pyrazine can be synthesized via a multistep process involving the reaction of 3-methyl[1,2,4]triazolo[4,3-a]pyrazine with thionyl chloride. Commonly, this reaction occurs in the presence of anhydrous solvents such as toluene, with yields typically around 70-80%.

What industries use 8-Chloro-3-methyl[1,2,4]triazolo[4,3-a]pyrazine (CAS: 68774-78-7)?

8-Chloro-3-methyl[1,2,4]triazolo[4,3-a]pyrazine is primarily used in the pharmaceutical industry for the synthesis of certain drug candidates. It also finds applications in the field of organic electronics, particularly in the development of semiconductors and sensors.

What precautions should be taken when handling 8-Chloro-3-methyl[1,2,4]triazolo[4,3-a]pyrazine (CAS: 68774-78-7)?

When handling 8-Chloro-3-methyl[1,2,4]triazolo[4,3-a]pyrazine, it is important to wear appropriate personal protective equipment (PPE) such as gloves, safety goggles, and a lab coat. It should be stored in a cool, dry place away from sources of heat and ignition. In case of spills, immediately clean up using appropriate containment and disposal methods, and refer to the Safety Data Sheet (SDS) for detailed instructions.