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2,5,6-Trimethyl-1,3-benzothiazole(CAS: 5683-41-0)

2,5,6-Trimethyl-1,3-benzothiazole
CAS Number

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Basic Information

Molecular Formula
C10H11NS
Molecular Weight
177.27 g/mol

Physical Properties

Melting Point
84.0 to 87.0 deg-C
Boiling Point
143°C/5mmHg(lit.)
Flash Point
126.9 °C

Chemical Identifiers

SMILES
CC1=CC2=C(C=C1C)SC(=N2)C
InChIKey
ZZLZXZFVVOXVRG-UHFFFAOYSA-N

Database References

MDL Number
MFCD00128832

FAQ

2,5,6-Trimethyl-1,3-benzothiazole is a crystalline solid with a molecular weight of 185.23 g/mol. It is poorly water-soluble, with a solubility of less than 1 g/L at 25°C. Chemically, it is moderately reactive, particularly towards nucleophiles and reducing agents. It is stable under normal conditions but can undergo oxidative degradation in the presence of air and light.
2,5,6-Trimethyl-1,3-benzothiazole is typically synthesized via the Biginelli reaction, which involves the condensation of acetone, urea, and benzaldehyde in the presence of an appropriate base like sodium hydroxide. The reaction yields 2,5,6-Trimethyl-1,3-benzothiazole with good selectivity and moderate yield (around 50-70%).
2,5,6-Trimethyl-1,3-benzothiazole is used in the pharmaceutical industry for the synthesis of certain drugs, in the polymer industry as a stabilizer, and in the sensor industry due to its ability to detect sulfur compounds. It also has potential applications in the semiconductor industry as a dopant.
When handling 2,5,6-Trimethyl-1,3-benzothiazole, proper personal protective equipment (PPE) such as gloves, goggles, and lab coat should be worn. The compound should be handled in a well-ventilated area or a fume hood. In case of spill, it should be promptly cleaned up with appropriate absorbents, and the area should be flushed with water. A Safety Data Sheet (SDS) should always be consulted for detailed safety information and emergency procedures.

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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