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

Basic Information

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CAS Number

40161-54-4

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

145°C

Flash Point

154-155℃

Refractive Index

1.46

SMILES

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

InChI

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

InChIKey

XCTQZIUCYJVRLJ-UHFFFAOYSA-N

LogP

3.607

Topological Polar Surface Area

0.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 0

Complexity

156

Safety Information

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GHS Hazard Pictograms

H315

H319

H335

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

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

AKOS005258448
40161-54-4
PS-7546
2-FLUORO-4-TRIFLUOROMETHYLBROMOBENZNE
DTXSID70193170
CS-W012758
EN300-221143
FT-0617820
AC-4116
Benzene, 1-bromo-2-fluoro-4-(trifluoromethyl)-
2-Fluoro-4-(trifluoromethyl)bromobenzene
B3783
MFCD00042497
4-Bromo-3-fluorobenzotrifluoride
AM61508
SCHEMBL607667
SY013908
1-bromo-2-fluoro-4-(trifluoromethyl)benzene
CK2326
A6713
4-Bromo-alpha,alpha,alpha,3-tetrafluorotoluene
4-Bromo-3-fluorobenzotrifluoride, AldrichCPR
1-Bromo-2-fluoro-4-trifluoromethyl-benzene
1-Bromo-2-fluoro-4-(trifluoromethyl)benzene
1-Bromo-2-fluoro-4-(trifluoromethyl)benzene~2-Fluoro-4-(trifluoromethyl)bromobenzene
2-FLUORO-4-(TRIFLUOROMETHYL)BROMOBENZENE
3-fluoro-4-bromobenzotrifluoride
4-Bromo-α,α,α,3-tetrafluorotoluene

MDL Number

MFCD00042497

Customs Code

2903999090

FAQ

What are the physical and chemical properties of 1-Bromo-2-fluoro-4-(trifluoromethyl)benzene (CAS: 40161-54-4)?

1-Bromo-2-fluoro-4-(trifluoromethyl)benzene (CAS: 40161-54-4) is a crystalline solid with a molecular weight of approximately 302.04 g/mol. It has a low water solubility and high solubility in organic solvents like dichloromethane and ethyl acetate. This compound is chemically reactive, particularly towards nucleophiles, and can undergo substitution and elimination reactions.

How is 1-Bromo-2-fluoro-4-(trifluoromethyl)benzene (CAS: 40161-54-4) typically synthesized?

1-Bromo-2-fluoro-4-(trifluoromethyl)benzene can be synthesized via bromination of 2-fluoro-4-(trifluoromethyl)benzene using N-bromosuccinimide (NBS) in the presence of a radical initiator, such as azobisisobutyronitrile (AIBN). The reaction is typically carried out under UV light or heat to achieve a yield of approximately 70–80%.

What industries use 1-Bromo-2-fluoro-4-(trifluoromethyl)benzene (CAS: 40161-54-4)?

1-Bromo-2-fluoro-4-(trifluoromethyl)benzene (CAS: 40161-54-4) is used in the pharmaceutical industry for the synthesis of drug intermediates and in polymer science for the modification of polymers. It also finds applications in the semiconductor industry for the fabrication of electronic materials and in chemical sensors for detection of various substances.

What precautions should be taken when handling 1-Bromo-2-fluoro-4-(trifluoromethyl)benzene (CAS: 40161-54-4)?

When handling 1-Bromo-2-fluoro-4-(trifluoromethyl)benzene (CAS: 40161-54-4), appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat should be worn. The compound should be stored in a fume hood and handled in a well-ventilated area. Spills should be cleaned up immediately using appropriate PPE and chemical waste protocols should be followed. Always refer to the safety data sheet (SDS) for detailed handling instructions.