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2-Methyl-5-nitrobenzotrifluoride(CAS: 89976-12-5)

2-Methyl-5-nitrobenzotrifluoride
CAS Number

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Basic Information

Molecular Formula
C8H6F3NO2
Molecular Weight
205.13 g/mol

Physical Properties

Melting Point
34-41°C
Boiling Point
220.5°C at 760 mmHg
Density
1.358
Flash Point
220.459 °C at 760 mmHg
Water Solubility
Slightly soluble in water.

Chemical Identifiers

SMILES
CC1=C(C=C(C=C1)[N+](=O)[O-])C(F)(F)F
InChIKey
SVQCVQCIZWSPPX-UHFFFAOYSA-N

Database References

MDL Number
MFCD01631684
Beilstein Registry Number
2506013

FAQ

2-Methyl-5-nitrobenzotrifluoride (CAS: 89976-12-5) is an organic compound featuring a benzene ring with three fluorine atoms, a nitro group at the 5-position, and a methyl group at the 2-position. It is typically a colorless solid with high chemical stability and exhibits strong electron-withdrawing properties due to the nitro and trifluoromethyl groups. This compound is widely used in synthetic chemistry for its reactivity and functional group versatility.
2-Methyl-5-nitrobenzotrifluoride (CAS: 89976-12-5) is primarily used in pharmaceuticals as a key intermediate in drug synthesis, particularly for compounds requiring nitro and fluorinated functionalities. It also finds applications in industrial chemistry for producing dyes, pesticides, and specialty chemicals. In research, it serves as a versatile building block for organic reactions and functional group modifications.
2-Methyl-5-nitrobenzotrifluoride (CAS: 89976-12-5) requires careful handling due to its potential toxicity. It may cause skin and respiratory irritation, and inhalation of vapors should be avoided. Safety standards recommend using appropriate PPE, ensuring proper ventilation, and following OSHA and REACH guidelines. Always consult the safety data sheet (SDS) for specific precautions.
2-Methyl-5-nitrobenzotrifluoride (CAS: 89976-12-5) should be stored in a cool, dry place (ideally 2-8°C), away from light and moisture. Keep in a sealed, airtight container made of inert material to maintain stability. Avoid exposure to incompatible substances and ensure storage conditions comply with chemical safety regulations for long-term preservation.

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

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