4,6-Difluoro-2-methyl-1H-benzimidazole

Basic Information

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CAS Number

874814-18-3

Molecular Formula

C8H6F2N2

Molecular Weight

168.15 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Electronic Chemicals Semiconductor Materials Etchants

Basic Physical Properties

SMILES

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CC1=NC2=C(N1)C=C(C=C2F)F

InChI

InChI=1S/C8H6F2N2/c1-4-11-7-3-5(9)2-6(10)8(7)12-4/h2-3H,1H3,(H,11,12)

InChIKey

ABQYTBKFUCHTOG-UHFFFAOYSA-N

LogP

2.14952

Topological Polar Surface Area

28.68 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

176

Synonyms & References

English

4,6-difluoro-2-methyl-1H-benzimidazole
DTXSID40681998
CS-0211499
AKOS006343046
4,6-DIFLUORO-2-METHYL-1H-1,3-BENZODIAZOLE
4,6-Difluoro-2-methyl-1H-benzo[d]imidazole
ABQYTBKFUCHTOG-UHFFFAOYSA-N
AKOS017405247
874814-18-3
MFCD09859884
BS-23196
5,7-difluoro-2-methyl-1H-benzo[d]imidazole
SCHEMBL8265513
A862569

MDL Number

MFCD09859884

FAQ

What are the physical and chemical properties of 4,6-Difluoro-2-methyl-1H-benzimidazole (CAS: 874814-18-3)?

4,6-Difluoro-2-methyl-1H-benzimidazole is a white to off-white crystalline solid with a molecular weight of approximately 170.07 g/mol. It is slightly soluble in water and more soluble in common organic solvents like DMSO and DMF. Chemically, it exhibits good stability under normal conditions but can react with strong acids or bases to form derivatives. It is used in various applications due to its unique chemical properties.

How is 4,6-Difluoro-2-methyl-1H-benzimidazole (CAS: 874814-18-3) typically synthesized?

4,6-Difluoro-2-methyl-1H-benzimidazole can be synthesized via the condensation of 2-methylbenzaldehyde with 1,3-difluorobenzene in the presence of a Lewis acid catalyst, such as aluminum chloride, at a temperature of around 100°C. The reaction proceeds with high selectivity and yield, producing the desired product with minimal by-products.

What industries use 4,6-Difluoro-2-methyl-1H-benzimidazole (CAS: 874814-18-3)?

4,6-Difluoro-2-methyl-1H-benzimidazole is used in the pharmaceutical industry as an intermediate for the synthesis of drugs with antiproliferative and anticancer effects. It also finds applications in the polymer industry, where it serves as a potential monomer or additive. Additionally, it is utilized in the development of sensor technology and in the field of semiconductors.

What precautions should be taken when handling 4,6-Difluoro-2-methyl-1H-benzimidazole (CAS: 874814-18-3)?

When handling 4,6-Difluoro-2-methyl-1H-benzimidazole, it is essential to wear appropriate personal protective equipment (PPE), including gloves, safety goggles, and a laboratory coat. Ensure work is conducted in a well-ventilated area or a fume hood to minimize inhalation risks. Spills should be cleaned up using appropriate absorbent materials and disposed of according to local regulations. Always refer to the safety data sheet (SDS) for detailed handling and disposal information.