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2,4,6-Trichlorobenzonitrile(CAS: 6575-05-9)

2,4,6-Trichlorobenzonitrile
CAS Number

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Basic Information

Molecular Formula
C7H2Cl3N
Molecular Weight
17.03 g/mol

Physical Properties

Melting Point
77.0 to 80.0 deg-C
Boiling Point
303.1℃ at 760 mmHg
Density
1.5400
Flash Point
136.4 °C

Chemical Identifiers

SMILES
C1=C(C=C(C(=C1Cl)C#N)Cl)Cl
InChIKey
PGODHCIOIPODFE-UHFFFAOYSA-N

Database References

MDL Number
MFCD00052711

FAQ

2,4,6-Trichlorobenzonitrile is a crystalline solid with a molecular weight of approximately 228.02 g/mol. It is slightly soluble in water but soluble in organic solvents like ethanol and acetone. It exhibits limited reactivity but can undergo electrophilic substitution reactions. Its physical properties include a melting point of 76-78°C and a boiling point of 255-257°C. It is known for its low solubility and stability under normal conditions.
2,4,6-Trichlorobenzonitrile is typically synthesized through a two-step process. In the first step, chlorobenzene is nitrated using concentrated nitric acid and sulfuric acid to form 2,4,6-trinitrotoluene. This intermediate is then reduced using zinc dust and hydrochloric acid to form the final product. This method ensures high selectivity and yield, with the use of appropriate catalysts and solvents.
2,4,6-Trichlorobenzonitrile is used in various industries including pharmaceuticals for the synthesis of certain drugs, polymers for special applications requiring specific chemical properties, sensors for detecting specific chemicals, and semiconductors for specific dopants. Its unique chemical structure makes it a valuable reagent in these fields.
When handling 2,4,6-Trichlorobenzonitrile, it is important to use personal protective equipment (PPE) such as gloves, goggles, and a laboratory coat. Work must be conducted in a fume hood to minimize exposure. Spills should be contained and cleaned up using appropriate absorbent materials. For detailed safety information, refer to the Safety Data Sheet (SDS).

Safety Notice

Please verify product specifications and safety data before use. Contact the supplier for detailed safety information.

Always follow proper handling procedures

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