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1-Isocyanato-4-(trifluoromethyl)benzene(CAS: 1548-13-6)

1-Isocyanato-4-(trifluoromethyl)benzene
CAS Number

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Basic Information

Molecular Formula
C8H4F3NO
Molecular Weight
187.12 g/mol

Physical Properties

Melting Point
58.5°C
Boiling Point
59°C/10mmHg(lit.)
Flash Point
69 ºC
Water Solubility
It hydrolyzes in water.

Chemical Identifiers

SMILES
C1=CC(=CC=C1C(F)(F)F)N=C=O
InChIKey
QZTWVDCKDWZCLV-UHFFFAOYSA-N

Database References

MDL Number
MFCD00002028
Beilstein Registry Number
881041

FAQ

1-Isocyanato-4-(trifluoromethyl)benzene (CAS: 1548-13-6) is a solid with a crystalline form. Its molecular weight is approximately 224.09 g/mol. It has low solubility in water but is soluble in organic solvents like dichloromethane and acetone. It is mildly reactive, particularly with primary amines to form isocyanurates. It is a colorless solid with a melting point of 50-52°C.
1-Isocyanato-4-(trifluoromethyl)benzene (CAS: 1548-13-6) is typically synthesized by reacting trifluoromethylbenzoyl chloride with ammonia in the presence of a catalyst such as dimethylformamide (DMF) and potassium carbonate. The process involves a nucleophilic substitution reaction, yielding a high yield with good selectivity.
1-Isocyanato-4-(trifluoromethyl)benzene (CAS: 1548-13-6) is used in the pharmaceutical industry for the synthesis of certain compounds and in the polymer industry as a monomer. It also finds applications in the development of sensors and semiconductors.
When handling 1-Isocyanato-4-(trifluoromethyl)benzene (CAS: 1548-13-6), it is important to wear appropriate personal protective equipment (PPE) such as gloves, safety goggles, and a lab coat. Work in a well-ventilated area or a fume hood. Proper storage in a cool, dry place away from heat sources is recommended. In case of spill, immediately clean up the area and refer to the Material Safety Data Sheet (MSDS) for further guidance.

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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