(Isocyanatomethyl)benzene(CAS: 3173-56-6)

CAS Number
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Basic Information
Molecular Formula
C8H7NO
Molecular Weight
133.15 g/mol
Physical Properties
Boiling Point
118°C/200mmHg(lit.)
Water Solubility
It hydrolyzes with water.
Chemical Identifiers
SMILES
C1=CC=C(C=C1)CN=C=O
InChIKey
YDNLNVZZTACNJX-UHFFFAOYSA-N
Database References
MDL Number
MFCD00009701
Beilstein Registry Number
636508
FAQ
(Isocyanatomethyl)benzene (CAS: 3173-56-6) is a crystalline solid with a molecular weight of approximately 154.21 g/mol. It has a low solubility in water but is soluble in organic solvents like ethanol and acetone. It is moderately reactive, particularly with nucleophiles and reducing agents. It can undergo electrophilic aromatic substitution and condensation reactions.
(Isocyanatomethyl)benzene is typically synthesized by reacting ethyl 3-aminopropionate with phenol in the presence of a Lewis acid catalyst, such as aluminum chloride, followed by dehydration. The reaction is carried out under reflux conditions, and the product is obtained with a good yield and high selectivity.
(Isocyanatomethyl)benzene (CAS: 3173-56-6) is primarily used in the polymer industry, particularly in the production of polyurethane precursors and coatings. It is also relevant in the pharmaceutical and sensor industries for its reactive functional groups.
When handling (Isocyanatomethyl)benzene (CAS: 3173-56-6), it is essential to wear appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. Work should be conducted in a fume hood, and proper spill containment and disposal procedures should be followed. Always consult a Safety Data Sheet (SDS) for detailed information on handling and storage.
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
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