1-Bromo-2-(trifluoromethoxy)benzene

Basic Information

View in Editor

CAS Number

64115-88-4

Molecular Formula

C7H4BrF3O

Molecular Weight

241.01 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Boiling Point

158-160 °C

Density

1.62 g/mL at 25 °C

Refractive Index

n20/D 1.464(lit.)

SMILES

View in Editor

C1=CC=C(C(=C1)OC(F)(F)F)Br

InChI

InChI=1S/C7H4BrF3O/c8-5-3-1-2-4-6(5)12-7(9,10)11/h1-4H

InChIKey

ITYCJCVRPBLODP-UHFFFAOYSA-N

LogP

3.3477000000000006

Topological Polar Surface Area

9.23 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

148

Safety Information

View Safety Information

GHS Hazard Pictograms

H226

Hazard Statement

H226 Flammable liquid and vapor
Flammable liquids

Hazard Class

Class 3 Class 3

Synonyms & References

English

SCHEMBL615592
AKOS000121054
AM20060389
2-Trifluoromethoxybromobenzene
o-Bromo Trifluoromethoxy Benzene
1-bromo-2-trifluoromethoxybenzene
FT-0660059
ITYCJCVRPBLODP-UHFFFAOYSA-
InChI=1/C7H4BrF3O/c8-5-3-1-2-4-6(5)12-7(9,10)11/h1-4H
2-bromo(trifluoromethyloxy)benzene
Z114728444
64115-88-4
1-bromo-2-trifluoromethoxy-benzene
A8801
o-bromo(trifluoromethoxy)benzene
2-bromo-trifluoromethoxybenzene
2-(Trifluoromethoxy)bromobenzene
1-bromo-2-trifluoromethoxy benzene
AC-3237
2-bromo-1-(trifluoromethoxy)benzene
1-bromo-2-(trifluoro-methoxy)benzene
CS-W012801
PS-7576
1-Bromo-2-(trifluoromethoxy)benzene, 97%
1-Bromo-2-(trifluoromethoxy)benzene
J-504383
MFCD00040942
Benzene, bromo(trifluoromethoxy)-
DTXSID30380443
o-trifluoromethoxybromobenzene
EN300-21762

MDL Number

MFCD00040942

Customs Code

2909309090

FAQ

What are the physical and chemical properties of 1-Bromo-2-(trifluoromethoxy)benzene (CAS: 64115-88-4)?

1-Bromo-2-(trifluoromethoxy)benzene (CAS: 64115-88-4) is a crystalline solid with a molecular weight of approximately 269.03 g/mol. It has a low solubility in water but is soluble in organic solvents like dichloromethane and acetone. It is a moderately reactive compound, particularly with nucleophiles. It is a dense, non-volatile liquid at room temperature.

How is 1-Bromo-2-(trifluoromethoxy)benzene (CAS: 64115-88-4) typically synthesized?

1-Bromo-2-(trifluoromethoxy)benzene can be synthesized by the Friedel-Crafts alkylation of 2-(trifluoromethoxy)benzene with bromine in the presence of aluminum trichloride as a catalyst. The reaction yields a mixture of 1-bromo-2-(trifluoromethoxy)benzene and 2-bromo-1-(trifluoromethoxy)benzene. The reaction is typically conducted under anhydrous conditions to prevent side reactions.

What industries use 1-Bromo-2-(trifluoromethoxy)benzene (CAS: 64115-88-4)?

1-Bromo-2-(trifluoromethoxy)benzene is used in the pharmaceutical industry for the synthesis of drug intermediates. It is also used in the electronics industry as a precursor in the production of organic semiconductors and in the polymer industry for the synthesis of fluorinated polymers. The compound's unique chemical properties make it valuable in these applications.

What precautions should be taken when handling 1-Bromo-2-(trifluoromethoxy)benzene (CAS: 64115-88-4)?

When handling 1-Bromo-2-(trifluoromethoxy)benzene (CAS: 64115-88-4), it is important to wear appropriate personal protective equipment (PPE), including gloves, safety goggles, and a lab coat. The substance should be handled in a well-ventilated area or a fume hood. Spills should be cleaned up using appropriate absorbents and the area should be decontaminated. Always refer to the Safety Data Sheet (SDS) for detailed safety information and emergency procedures.