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2-(Benzylsulfanyl)nicotinic acid(CAS: 112811-90-2)

2-(Benzylsulfanyl)nicotinic acid
CAS Number

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Basic Information

Molecular Formula
C13H11NO2S
Molecular Weight
245.3 g/mol
Physical State
No data available

Physical Properties

Melting Point
194.0 to 198.0 deg-C
Boiling Point
431.1±40.0 °C at 760 mmHg
Density
1.28
Flash Point
214.5±27.3 °C

Chemical Identifiers

SMILES
C1=CC=C(C=C1)CSC2=C(C=CC=N2)C(=O)O
InChIKey
OJNZDGDYAXCHPB-UHFFFAOYSA-N

Database References

MDL Number
MFCD00661380

FAQ

2-(Benzylsulfanyl)nicotinic acid is a white to off-white crystalline powder with a molecular weight of approximately 260.32 g/mol. It has a solubility of about 100 mg/mL in water and is slightly soluble in ethanol. The compound is relatively stable under normal conditions but can react with strong oxidizing agents. It is typically used in pharmaceutical applications due to its chemical stability and reactivity.
2-(Benzylsulfanyl)nicotinic acid is typically synthesized via the reaction of nicotinoyl chloride with benzyl mercaptan in the presence of a strong base like sodium hydride. The yield is around 80%, and the process involves careful control of temperature and reaction time to achieve high selectivity and purity.
2-(Benzylsulfanyl)nicotinic acid is primarily used in the pharmaceutical industry for the synthesis of therapeutic agents. It also finds applications in the production of certain chemical sensors and in the development of materials for semiconductors. Its chemical properties make it suitable for various industrial processes requiring specific reactivity and stability characteristics.
When handling 2-(Benzylsulfanyl)nicotinic acid, it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. The compound should be stored in a well-ventilated area and handled in a fume hood to minimize exposure. In case of a spill, immediately clean it up using appropriate absorbent materials and dispose of them according to safety protocols. 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

Contact Information

Contact Person

Li Jun

Email

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