6-Chloro-3-methyl[1,2,4]triazolo[4,3-b]pyridazine

Basic Information

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CAS Number

7197-01-5

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=C2N1N=C(C=C2)Cl

InChI

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

InChIKey

NHLQOVMOYMLRHE-UHFFFAOYSA-N

LogP

1.0861199999999998

Topological Polar Surface Area

43.08 Å²

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

154

Safety Information

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Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

FT-0683677
CS-0071235
AB07876
MFCD00975127
AMY15976
DTXSID20358717
6-chloro-3-methyl-1,2,4-triazolo[4,3-b]pyridazine
1,2,4-TRIAZOLO[4,3-B]PYRIDAZINE,6-CHLORO-3-METHYL-
EN300-24773
NHLQOVMOYMLRHE-UHFFFAOYSA-N
F1142-0433
1,2,4-Triazolo[4,3-b]pyridazine, 6-chloro-3-methyl-
3M-746
Z203037862
HMS1625A08
AKOS000271675
6-chloro-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine
6-chloro-3-methyl[1,2,4]triazolo[4,3-b]pyridazine
7197-01-5
SCHEMBL1242674
6-Chloro-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine
6-CHLORO-3-METHYL[1,2,4]TRIAZOLO[4,3-B]PYRIDAZINE
SBB040137
BBL005574
STL137726
ST2412307
V7472

MDL Number

MFCD00975127

Customs Code

2933990090

FAQ

What are the physical and chemical properties of 6-Chloro-3-methyl[1,2,4]triazolo[4,3-b]pyridazine (CAS: 7197-01-5)?

6-Chloro-3-methyl[1,2,4]triazolo[4,3-b]pyridazine is a crystalline compound with a molecular weight of approximately 229.01 g/mol. It has a low solubility in water but is soluble in organic solvents such as ethanol and acetone. This compound is known for its reactive nature, particularly with nucleophiles, and it displays significant reactivity in electrophilic aromatic substitution reactions.

How is 6-Chloro-3-methyl[1,2,4]triazolo[4,3-b]pyridazine (CAS: 7197-01-5) typically synthesized?

6-Chloro-3-methyl[1,2,4]triazolo[4,3-b]pyridazine is synthesized through the condensation of 3-methyl[1,2,4]triazolo[4,3-b]pyridazine with chlorine. The reaction typically requires the use of a Lewis acid catalyst, such as aluminum chloride, to enhance the reactivity. The yield of the reaction is around 75-80%, and selectivity is high due to the specific reactivity of the compound.

What industries use 6-Chloro-3-methyl[1,2,4]triazolo[4,3-b]pyridazine (CAS: 7197-01-5)?

6-Chloro-3-methyl[1,2,4]triazolo[4,3-b]pyridazine is used in various industries, particularly in pharmaceuticals, where it serves as an intermediate for synthesizing active pharmaceutical ingredients. It is also utilized in chemical research, specifically in the development of new materials and sensors. In the semiconductor industry, this compound plays a role in creating advanced thin-film materials.

What precautions should be taken when handling 6-Chloro-3-methyl[1,2,4]triazolo[4,3-b]pyridazine (CAS: 7197-01-5)?

When handling 6-Chloro-3-methyl[1,2,4]triazolo[4,3-b]pyridazine, it is essential to wear appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. This compound can be toxic and corrosive, so it should be handled in a fume hood. Spills should be cleaned up with caution, and the area should be well-ventilated. Always consult the Safety Data Sheet (SDS) for detailed handling and disposal guidelines.