4-Bromo-2-fluoro-N-methoxy-N-methylbenzamide | CAS No. 8013-10-3

4-Bromo-2-fluoro-N-methoxy-N-methylbenzamide

Basic Information

CAS Number

8013-10-3

Molecular Formula

C9H9BrFNO2

Molecular Weight

262.08 g/mol

AD

Basic Physical Properties

Boiling Point

184 °C

Density

0.991 g/mL at 25 °C<br />1.027 g/mL at 25 °C

Refractive Index

n20/D 1.522<br />n20/D 1.5340(lit.)

BrC1C=CC(=C(C=1)F)C(N(C)OC)=O

InChI

1S/C9H9BrFNO2/c1-12(14-2)9(13)7-4-3-6(10)5-8(7)11/h3-5H,1-2H3

InChIKey

GDYDISRVUKFNSH-UHFFFAOYSA-N

LogP

2.2216000000000005

Topological Polar Surface Area

29.54 Ų

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

215

Safety Information

View Safety Information

Hazard Statement

H226 Flammable liquid and vapor
Flammable liquids
H315 Causes skin irritation
Skin corrosion/irritation
H319 Causes serious eye irritation
Serious eye damage/eye irritation
H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

  • CADE OIL
  • cade
  • cade’
  • cadeoilractified
  • cadeoilrectified
  • caparlem
  • empyreumaticoilofjuniper
  • essencedecade’(french)
  • haarlemoil
  • Cade'
  • Cade [Italian]
  • Cade' [Spanish]
  • Cade oil (Juniperus oxycedrus L.)
  • Caswell No. 516
  • EPA Pesticide Chemical Code 067203
  • Essence de cade'
  • Essence de cade' [French]
  • Harlem oil
  • Holland balsam
  • HSDB 1970
  • Juniper tar
  • Juniper tar oil
  • Kadeoel
  • Kadeoel [German]
  • Kaparlem
  • Oil of cade
  • Oil of juniper tar
  • Oils, cade
  • Oils, ju
  • 4-BROMO-2-FLUORO-N-METHOXY-N-METHYLBENZAMIDE
  • n-methoxy-n-methyl 4-bromo-2-fluorobenzamide

FAQ

What are the physical and chemical properties of 4-Bromo-2-fluoro-N-methoxy-N-methylbenzamide (CAS: 8013-10-3)?

4-Bromo-2-fluoro-N-methoxy-N-methylbenzamide (CAS: 8013-10-3) is a crystalline solid with a molecular weight of approximately 285.03 g/mol. It has a low solubility in water but is soluble in organic solvents like methanol and acetonitrile. Chemically, it is reactive towards nucleophiles and can participate in electrophilic aromatic substitution reactions. It is also susceptible to base-catalyzed hydrolysis, making it important to control the pH during synthesis and storage.

How is 4-Bromo-2-fluoro-N-methoxy-N-methylbenzamide (CAS: 8013-10-3) typically synthesized?

4-Bromo-2-fluoro-N-methoxy-N-methylbenzamide (CAS: 8013-10-3) is typically synthesized through a multistep process involving bromination, fluorination, and amide formation. The bromination of an appropriate starting material is often achieved using N-bromosuccinimide (NBS) in an organic solvent like dichloromethane. Subsequent steps include protecting the functional groups and introducing the fluoro and methoxy substituents. The final amide formation is usually catalyzed by a strong base like dicyclohexylcarbodiimide (DCC) or N,N'-carbonyldiimidazole (CDI).

What industries use 4-Bromo-2-fluoro-N-methoxy-N-methylbenzamide (CAS: 8013-10-3)?

4-Bromo-2-fluoro-N-methoxy-N-methylbenzamide (CAS: 8013-10-3) is used in various industries, particularly in pharmaceutical research and development. It serves as a precursor in the synthesis of complex molecules and drugs. Additionally, it finds applications in the production of certain polymers, where its unique substituents can influence the material properties. Its use in sensor technologies and semiconductor manufacturing is also documented, though on a more specialized scale.

What precautions should be taken when handling 4-Bromo-2-fluoro-N-methoxy-N-methylbenzamide (CAS: 8013-10-3)?

When handling 4-Bromo-2-fluoro-N-methoxy-N-methylbenzamide (CAS: 8013-10-3), it is crucial to use appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood to minimize exposure to potential vapors. Spills should be cleaned up with caution, using appropriate absorbents, and followed by thorough cleaning with water. Always consult the Material Safety Data Sheet (MSDS) or Safety Data Sheet (SDS) for detailed information and emergency procedures.

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