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1-(isocyanatomethyl)-4-methoxybenzene(CAS: 56651-60-6)

1-(isocyanatomethyl)-4-methoxybenzene
CAS Number

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Basic Information

Molecular Formula
C9H9NO2
Molecular Weight
163.18 g/mol

Physical Properties

Boiling Point
60-66 °C/0.6 mmHg(lit.)
Density
1.143 g/mL at 25 °C(lit.)

Chemical Identifiers

SMILES
COC1=CC=C(C=C1)CN=C=O
InChIKey
QRBHVARIMDDOOV-UHFFFAOYSA-N

Database References

MDL Number
MFCD00673064

FAQ

1-(isocyanatomethyl)-4-methoxybenzene is a solid at room temperature with a melting point of approximately 60-62°C. Its molecular weight is around 194.23 g/mol. The compound is slightly soluble in water but highly soluble in organic solvents such as methanol and acetonitrile. It is reactive towards nucleophiles and can undergo substitution reactions. It is also sensitive to strong acids and bases.
1-(isocyanatomethyl)-4-methoxybenzene is typically synthesized by the reaction of 4-methoxybenzylamine with phosgene or carbon dioxide in the presence of a catalyst such as N,N-dimethylformamide (DMF). The process involves the formation of a carbamate intermediate, which is then hydrolyzed to yield the target compound. The yield is generally good, and the selectivity is high.
1-(isocyanatomethyl)-4-methoxybenzene is primarily used in the pharmaceutical industry as an intermediate for the synthesis of certain drugs. It is also used in the polymer industry to produce functionalized polymers with improved properties. Additionally, it can be used in the electronics industry for the development of organic semiconductors and sensors.
When handling 1-(isocyanatomethyl)-4-methoxybenzene, appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat should be worn. It should be stored in a cool, dry place away from heat sources and incompatible materials. Fume hoods should be used during handling to minimize exposure. In case of a spill, it should be cleaned up with appropriate absorbent materials and disposed of according to local regulations. The material safety data sheet (MSDS) should be consulted for detailed safety information.

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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