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1-Chloro-4-isocyanato-2-(trifluoromethyl)benzene(CAS: 327-78-6)

1-Chloro-4-isocyanato-2-(trifluoromethyl)benzene
CAS Number

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Basic Information

Molecular Formula
C8H3ClF3NO
Molecular Weight
221.57 g/mol

Physical Properties

Melting Point
34.0 to 38.0 deg-C
Boiling Point
92°C/13mmHg(lit.)

Chemical Identifiers

SMILES
C1=CC(=C(C=C1N=C=O)C(F)(F)F)Cl
InChIKey
NBJZEUQTGLSUOB-UHFFFAOYSA-N

Database References

MDL Number
MFCD00013874
Beilstein Registry Number
522032

FAQ

1-Chloro-4-isocyanato-2-(trifluoromethyl)benzene is an organic compound with the chemical formula C8H5ClF3N2O. It features a benzene ring substituted with a chloro group at position 1, an isocyanato group at position 4, and a trifluoromethyl group at position 2. This compound is known for its reactivity and is commonly used in synthetic chemistry due to its functional groups, which allow for various chemical modifications. Its CAS number is 327-78-6.
1-Chloro-4-isocyanato-2-(trifluoromethyl)benzene is primarily used in pharmaceutical research as a building block for drug development. It also finds applications in the synthesis of agrochemicals and specialty polymers. Its unique combination of chlorine, isocyanato, and trifluoromethyl groups makes it valuable in creating compounds with specific biological or chemical properties. CAS number 327-78-6 is associated with this versatile intermediate.
1-Chloro-4-isocyanato-2-(trifluoromethyl)benzene is considered hazardous due to its potential toxicity. It should be handled with appropriate protective measures, including gloves, goggles, and a fume hood. Safety standards recommend avoiding inhalation, skin contact, and ingestion. Proper disposal and storage are essential to minimize risks. Always consult safety data sheets (SDS) for detailed handling guidelines.
1-Chloro-4-isocyanato-2-(trifluoromethyl)benzene should be stored in a cool, dry, and well-ventilated area away from light. It is best kept in a sealed, inert container to maintain stability and prevent contamination. Due to its reactivity, it should be stored in a location that is inaccessible to unauthorized personnel and protected from moisture and heat. The CAS number 327-78-6 is important for identifying storage requirements in chemical databases.

Safety Notice

Please verify product specifications and safety data before use. Contact the supplier for detailed safety information.

Always follow proper handling procedures