2-Bromo-1-fluoro-4-(trifluoromethyl)benzene

Basic Information

View in Editor

CAS Number

68322-84-9

Molecular Formula

C7H3BrF4

Molecular Weight

243 g/mol

Chemical Classification

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Boiling Point

60°C/35mmHg

Density

1.706 g/mL at 25 °C

Refractive Index

n20/D 1.459(lit.)

SMILES

View in Editor

C1=CC(=C(C=C1C(F)(F)F)Br)F

InChI

InChI=1S/C7H3BrF4/c8-5-3-4(7(10,11)12)1-2-6(5)9/h1-3H

InChIKey

RZJOIMPUMMQKFR-UHFFFAOYSA-N

LogP

3.607

Topological Polar Surface Area

0.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 0

Complexity

156

Safety Information

View Safety Information

GHS Hazard Pictograms

H315

H319

H335

H227

Hazard Statement

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

H227 Combustible liquid
Flammable liquids

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

AM20060385
CK2332
2-bromo-1-fluoro-4-trifluoromethyl-benzene
BENZENE, 2-BROMO-1-FLUORO-4-(TRIFLUOROMETHYL)-
FT-0615156
MFCD00040938
3-Bromo-alpha,alpha,alpha,4-tetrafluorotoluene
68322-84-9
BCP24555
2-Fluoro-5-(trifluoromethyl)bromobenzene
2-Bromo-1-fluoro-4-(trifluoromethyl)benzene
2-Bromo-1-fluoro-4-(trifluoromethyl)benzene #
SCHEMBL283936
3-Bromo-4-fluorobenzotrifluoride
3-Bromo-4-fluorobenzotrifluoride, 96%
GS-3105
DTXSID80218469
B1421
CS-W010271
AC-4113
AKOS005255557
EN300-116406
3-bromo-4-fluorobenzotrifluoride
(1E,3E,7E,11E)-1,7,11-Trimethyl-4-isopropyl-1,3,7,11-cyclotetradecatetrene
(1E,3E,7E,11E)-1,7,11-Trimethyl-4-isopropylcyclotetradeca-1,3,7,11-tetrene
2-bromo-1-fluoro-4-(trifluormethyl)benzene
3-bromo-4-fluoro-1-trifluoromethyl benzene
3-bromo-4-fluoro-benzotrifluoride
3-bromo-α,α,
Cembrene C
Isoneocembrene A

MDL Number

MFCD00040938

Customs Code

2903999090

FAQ

What are the physical and chemical properties of 2-Bromo-1-fluoro-4-(trifluoromethyl)benzene (CAS: 68322-84-9)?

2-Bromo-1-fluoro-4-(trifluoromethyl)benzene is a crystalline solid with a molecular weight of 244.02 g/mol. It has limited water solubility and is soluble in organic solvents like dichloromethane and acetonitrile. The compound is highly reactive, particularly towards nucleophiles, and is known for its potent electrophilic aromatic substitution capabilities.

How is 2-Bromo-1-fluoro-4-(trifluoromethyl)benzene (CAS: 68322-84-9) typically synthesized?

2-Bromo-1-fluoro-4-(trifluoromethyl)benzene is typically synthesized through bromination of 2-fluoro-4-(trifluoromethyl)benzene using N-bromosuccinimide in the presence of a photoinitiator. The reaction conditions are optimized for high yield and selectivity, often requiring UV light exposure to facilitate the bromination process.

What industries use 2-Bromo-1-fluoro-4-(trifluoromethyl)benzene (CAS: 68322-84-9)?

2-Bromo-1-fluoro-4-(trifluoromethyl)benzene is used in the pharmaceutical and polymer industries for the synthesis of intermediates and functional materials. It is also important in the electronics sector, particularly in the fabrication of sensors and semiconductors due to its unique chemical structure and reactivity.

What precautions should be taken when handling 2-Bromo-1-fluoro-4-(trifluoromethyl)benzene (CAS: 68322-84-9)?

When handling 2-Bromo-1-fluoro-4-(trifluoromethyl)benzene, appropriate personal protective equipment (PPE) including gloves, goggles, and a lab coat should be worn. The compound should be handled in a well-ventilated area or fume hood to minimize inhalation risks. Spills should be cleaned up using appropriate absorbent materials and chemical waste should be disposed of according to local regulations. Always consult the safety data sheet (SDS) for detailed handling instructions.