(2-Isocyanoethyl)benzene(CAS: 59795-89-0)

CAS Number
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Basic Information
Molecular Formula
C9H9N
Molecular Weight
12.01 g/mol
Physical Properties
Boiling Point
52 °C (2.2503 mmHg)
Density
0.95
Chemical Identifiers
SMILES
[C-]#[N+]CCC1=CC=CC=C1
InChIKey
XIJXCJCWHKUKAW-UHFFFAOYSA-N
Database References
MDL Number
MFCD02664670
FAQ
(2-Isocyanoethyl)benzene is a colorless, crystalline solid with a molecular weight of approximately 172.21 g/mol. It is poorly soluble in water but soluble in organic solvents like ethanol and acetone. It is highly reactive, particularly towards nucleophiles, and can undergo substitution and addition reactions. This compound is also known for its volatility and low boiling point.
(2-Isocyanoethyl)benzene is synthesized by reacting benzyl isocyanate with ethylene glycol. This process typically requires a basic catalyst like triethylamine and is carried out in an organic solvent. The yield is usually around 90%, with high selectivity towards the desired product. The reaction is exothermic and requires careful temperature control.
(2-Isocyanoethyl)benzene is used in various industries, particularly in the synthesis of polyurethane precursors, pharmaceuticals, and as a monomer in the production of polymers. It is also utilized in the development of sensors and as a precursor in semiconductor manufacturing processes.
When handling (2-Isocyanoethyl)benzene, appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat should be worn. The compound should be stored in a well-ventilated area and used in a fume hood to minimize exposure. Spills should be cleaned up using appropriate absorbents, and the area should be well-ventilated. Always refer to the Safety Data Sheet (SDS) for detailed handling and disposal 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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