1-(Chloromethyl)-2-fluoro-3-(trifluoromethoxy)benzene | CAS No. 1373864-66-4

1-(Chloromethyl)-2-fluoro-3-(trifluoromethoxy)benzene

Basic Information

CAS Number

1373864-66-4

Molecular Formula

C8H5ClF4O

Molecular Weight

228.57 g/mol

AD

Basic Physical Properties

c1cc(c(c(c1)OC(F)(F)F)F)CCl

InChI

InChI=1S/C8H5ClF4O/c9-4-5-2-1-3-6(7(5)10)14-8(11,12)13/h1-3H,4H2

InChIKey

RXMSLJKBPIQURI-UHFFFAOYSA-N

LogP

3.4631000000000007

Topological Polar Surface Area

9.23 Ų

Hydrogen Bond Donor/Acceptor

0 / 1

Synonyms & References

English

  • 1-(chloromethyl)-2-fluoro-3-(trifluoromethoxy)benzene

MDL Number

MFCD22383780

Customs Code

2909309090

FAQ

What are the physical and chemical properties of 1-(Chloromethyl)-2-fluoro-3-(trifluoromethoxy)benzene (CAS: 1373864-66-4)?

1-(Chloromethyl)-2-fluoro-3-(trifluoromethoxy)benzene is a crystalline compound with a molecular weight of approximately 360.14 g/mol. It has low solubility in water but is soluble in common organic solvents like dichloromethane and acetonitrile. The compound exhibits reactivity towards nucleophiles and electrophiles due to its functional groups. It is stable under normal conditions but may react with strong bases or reducing agents.

How is 1-(Chloromethyl)-2-fluoro-3-(trifluoromethoxy)benzene (CAS: 1373864-66-4) typically synthesized?

1-(Chloromethyl)-2-fluoro-3-(trifluoromethoxy)benzene is typically synthesized via a multi-step process involving the chloromethylation of 2-fluoro-3-(trifluoromethoxy)benzene followed by a substitution reaction. The synthesis often uses catalytic amounts of a Lewis acid like aluminum chloride and a chloromethylating agent. The reaction conditions are carefully controlled to ensure high selectivity and yield.

What industries use 1-(Chloromethyl)-2-fluoro-3-(trifluoromethoxy)benzene (CAS: 1373864-66-4)?

1-(Chloromethyl)-2-fluoro-3-(trifluoromethoxy)benzene finds applications in the pharmaceutical and chemical industries. It is used as an intermediate in the synthesis of various compounds and has potential uses in polymer science and sensor technology due to its functional groups. Its stability and reactivity make it suitable for a range of applications in organic synthesis and material science.

What precautions should be taken when handling 1-(Chloromethyl)-2-fluoro-3-(trifluoromethoxy)benzene (CAS: 1373864-66-4)?

When handling 1-(Chloromethyl)-2-fluoro-3-(trifluoromethoxy)benzene, it is important to use proper personal protective equipment (PPE) such as gloves, goggles, and a lab coat. The compound should be handled in a well-ventilated area or a fume hood. Spills should be cleaned up using appropriate absorbent materials and disposed of according to local regulations. Always consult the Safety Data Sheet (SDS) for detailed handling and disposal guidelines.

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