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1-(Benzyloxy)-3-isothiocyanatobenzene(CAS: 206559-36-6)

1-(Benzyloxy)-3-isothiocyanatobenzene
CAS Number

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Basic Information

Molecular Formula
C14H11NOS
Molecular Weight
241.32 g/mol

Physical Properties

Melting Point
45-48°C
Boiling Point
398.3°C at 760 mmHg
Density
1.09
Flash Point
194.7°C

Chemical Identifiers

SMILES
C1=CC=C(C=C1)COC2=CC=CC(=C2)N=C=S
InChIKey
QJLFNDXMZQJMDL-UHFFFAOYSA-N

Database References

MDL Number
MFCD00060374

FAQ

1-(Benzyloxy)-3-isothiocyanatobenzene (CAS: 206559-36-6) is a solid with a crystalline form at room temperature. Its molecular weight is approximately 261.26 g/mol. This compound is soluble in organic solvents like ethanol and acetone but has limited solubility in water. It is a reactive compound, showing characteristic reactivity towards nucleophiles due to the presence of the isothiocyanate group.
1-(Benzyloxy)-3-isothiocyanatobenzene (CAS: 206559-36-6) can be synthesized through a multi-step process involving the protection of a hydroxyl group, followed by the introduction of the isothiocyanate group. Commonly, benzyl bromide is reacted with phenol to form benzyl benzoate, which is then treated with potassium thiocyanate and a suitable base under reflux conditions to yield the target compound. The overall process requires careful control of reaction conditions to achieve high yield and selectivity.
1-(Benzyloxy)-3-isothiocyanatobenzene (CAS: 206559-36-6) is primarily used in the pharmaceutical industry for the synthesis of bioactive compounds. It also has applications in the polymer industry as a monomer for the preparation of novel polymers. Additionally, it can be used in the development of sensors and semiconductors due to its unique chemical properties.
When handling 1-(Benzyloxy)-3-isothiocyanatobenzene (CAS: 206559-36-6), it is essential to use appropriate personal protective equipment (PPE), such as gloves, goggles, and a lab coat. This compound should be stored in a cool, dry place away from direct sunlight and sources of heat. In case of a spill, it should be immediately contained and disposed of according to local regulations. Always refer to the safety data sheet (SDS) for specific guidelines 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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