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4-Bromo-1,3-benzothiazole(CAS: 2516-40-7)

4-Bromo-1,3-benzothiazole
CAS Number

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Basic Information

Molecular Formula
C7H4BrNS
Molecular Weight
214.09 g/mol
Physical State
Yellow to Brown Solid

Physical Properties

Melting Point
39.0 to 43.0 deg-C
Boiling Point
125°C/7mmHg(lit.)
Density
1.748
Water Solubility
Slightly soluble in water.

Chemical Identifiers

SMILES
C1=CC=C2C(=C1)N=C(S2)Br
InChIKey
SXZKODVCLOIJGX-UHFFFAOYSA-N

Database References

MDL Number
MFCD02681887

FAQ

4-Bromo-1,3-benzothiazole is a crystalline solid with a high melting point of 210-211°C. Its molecular weight is 243.01 g/mol. This compound has limited water solubility and is more soluble in organic solvents like ethanol and acetone. It is relatively stable but can react with strong reducing agents. Its reactivity is important in its applications in pharmaceuticals and sensors.
4-Bromo-1,3-benzothiazole is commonly synthesized by bromination of benzothiazole in the presence of a suitable catalyst, such as NBS (N-bromosuccinimide) or PBr3 (phosphorus tribromide). The reaction is carried out in a solvent like dichloromethane, typically yielding a high purity product with good selectivity and yield.
4-Bromo-1,3-benzothiazole is widely used in the pharmaceutical industry for the synthesis of various drugs, particularly those targeting respiratory and cardiovascular systems. It is also used in the production of sensors, semiconductors, and in the development of polymer materials for its unique properties.
When handling 4-Bromo-1,3-benzothiazole, it is essential to wear appropriate personal protective equipment (PPE), including gloves, goggles, and a laboratory coat. The compound should be handled in a well-ventilated area or within a fume hood. Spills should be immediately cleaned up with appropriate absorbents, and the area should be ventilated. Consult the Safety Data Sheet (SDS) for detailed information on safe handling and disposal.

Safety Notice

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

Always follow proper handling procedures

Contact Information

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