2,6-Dichloro-4-methoxybenzonitrile

Basic Information

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CAS Number

30482-87-2

Molecular Formula

C8H5Cl2NO

Molecular Weight

202.04 g/mol

Basic Physical Properties

SMILES

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COC1=CC(=C(C(=C1)Cl)C#N)Cl

InChI

InChI=1S/C8H5Cl2NO/c1-12-5-2-7(9)6(4-11)8(10)3-5/h2-3H,1H3

InChIKey

MTKOPGRUFMDVSS-UHFFFAOYSA-N

Complexity

189

Synonyms & References

English

2,6-Dichloro-4-methoxybenzonitrile
SCHEMBL24089350
MFCD24539384
AKOS022646975
A900631
30482-87-2
AS-33154
SY022924
CS-0529701
Benzonitrile, 2,6-dichloro-4-methoxy-
DA-27135

MDL Number

MFCD24539384

FAQ

What are the physical and chemical properties of 2,6-Dichloro-4-methoxybenzonitrile (CAS: 30482-87-2)?

2,6-Dichloro-4-methoxybenzonitrile is a crystalline solid with a molecular weight of approximately 232.04 g/mol. It has a low solubility in water (0.03 g/100 mL at 20°C) and is soluble in common organic solvents such as ethanol and acetone. The compound is moderately reactive, particularly towards nucleophiles and metal complexes, making it suitable for various chemical transformations. It is stable under normal conditions but should be handled with care due to its reactivity.

How is 2,6-Dichloro-4-methoxybenzonitrile (CAS: 30482-87-2) typically synthesized?

2,6-Dichloro-4-methoxybenzonitrile is typically synthesized by the reaction of 4-methoxybenzonitrile with chlorine gas in the presence of a Lewis acid catalyst, such as aluminum chloride (AlCl3). The reaction is carried out under anhydrous conditions to ensure optimal yield and selectivity. The process involves the substitution of two chlorine atoms on the benzene ring, leading to the formation of the desired product with high selectivity and good yield.

What industries use 2,6-Dichloro-4-methoxybenzonitrile (CAS: 30482-87-2)?

2,6-Dichloro-4-methoxybenzonitrile is primarily used in the pharmaceutical industry for the synthesis of various intermediates and drugs. It is also employed in the polymer industry for the development of novel polymer materials, and in the chemical sensor industry for the production of gas-sensing devices. Additionally, it has applications in the semiconductor industry for the fabrication of electronic materials.

What precautions should be taken when handling 2,6-Dichloro-4-methoxybenzonitrile (CAS: 30482-87-2)?

Handling 2,6-Dichloro-4-methoxybenzonitrile requires appropriate personal protective equipment (PPE) such as gloves, goggles, and lab coats. The compound should be stored in a cool, well-ventilated area away from sources of ignition. It should be handled in a fume hood to minimize exposure to its vapors. In case of a spill, contaminated clothing should be removed immediately, and the spill should be cleaned up using appropriate absorbent materials. Safety data sheets (SDS) should be consulted for detailed emergency response procedures and storage instructions.