1-Bromo-2,3,5-trifluorobenzene

Basic Information

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CAS Number

133739-70-5

Molecular Formula

C6H2BrF3

Molecular Weight

210.98 g/mol

Chemical Classification

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Boiling Point

143℃

Flash Point

89 ºF

Refractive Index

1.486

SMILES

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C1=C(C=C(C(=C1F)F)Br)F

InChI

InChI=1S/C6H2BrF3/c7-4-1-3(8)2-5(9)6(4)10/h1-2H

InChIKey

XSMLLZPSNLQCQU-UHFFFAOYSA-N

LogP

2.8664000000000005

Topological Polar Surface Area

0.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 0

Complexity

120

Safety Information

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GHS Hazard Pictograms

H226

H315

H319

H335

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

Hazard Class

Class 3 Class 3

Synonyms & References

English

B2970
1-Bromo-2,3,5-triflu;2,3,5-Trifluorobromobenzene
2,3,5-trifluorobromobenzene;2,3,5-Trifluorobromobenzene
AS-33097
FT-0609454
BCP34256
AM61760
1-Bromo-2,3,5-trifluorobenzene
133739-70-5
InChI=1/C6H2BrF3/c7-4-1-3(8)2-5(9)6(4)10/h1-2
Benzene, 1-bromo-2,3,5-trifluoro-
AKOS005257833
2,3,5-trifluorobromobenzene
XSMLLZPSNLQCQU-UHFFFAOYSA-N
AC-9676
SY048936
A20470
SCHEMBL504762
CS-W015080
1-Bromo-2,3,5-trifluorobenzene, 98%
EN300-194195
MFCD00012232
DTXSID30371336
2,3,5-Trifluorobromobenzene
C6H2BrF3
1-bromo-2,3,5-trifluoro-benzene
2,3,5-trifluoro-1-bromobenzene
3-bromo-1,2,5-trifluorobenzene
PubChem2305
2,3,5-trifluorobromo benzene
PARAGOS 390204

MDL Number

MFCD00012232

Customs Code

2903999090

FAQ

What are the physical and chemical properties of 1-Bromo-2,3,5-trifluorobenzene (CAS: 133739-70-5)?

1-Bromo-2,3,5-trifluorobenzene (CAS: 133739-70-5) is a crystalline solid with a molecular weight of approximately 252.01 g/mol. It is sparingly soluble in water but soluble in common organic solvents like ethanol, acetone, and dichloromethane. The compound is less reactive than other brominated benzenes due to the electron-withdrawing fluorine substituents, which decrease its electrophilicity. It is stable under normal storage conditions and is often used in organic synthesis and as a precursor in various industries.

How is 1-Bromo-2,3,5-trifluorobenzene (CAS: 133739-70-5) typically synthesized?

1-Bromo-2,3,5-trifluorobenzene (CAS: 133739-70-5) can be synthesized via a series of reactions, starting with bromination of 2,3,5-trifluorobenzenediol followed by bromination of the phenolic hydroxyl group. Common methods include the use of bromine in the presence of a base or a phase-transfer catalyst, which enhances selectivity. The reaction is typically conducted under anhydrous conditions to avoid side reactions. High yield and selectivity can be achieved with proper conditions.

What industries use 1-Bromo-2,3,5-trifluorobenzene (CAS: 133739-70-5)?

1-Bromo-2,3,5-trifluorobenzene (CAS: 133739-70-5) finds applications in various industries, including pharmaceuticals, where it serves as an intermediate for synthesizing drug molecules, and as a precursor in the production of advanced polymers with enhanced thermal stability. It is also used in the development of chemical sensors and semiconductor materials due to its unique electronic properties.

What precautions should be taken when handling 1-Bromo-2,3,5-trifluorobenzene (CAS: 133739-70-5)?

When handling 1-Bromo-2,3,5-trifluorobenzene (CAS: 133739-70-5), it is essential to use appropriate personal protective equipment (PPE), including safety goggles, gloves, and lab coats. This compound should be stored in a cool, dry, and well-ventilated area, away from direct sunlight. In the event of a spill, it is recommended to use fume hoods and appropriate absorbents. Always refer to the Material Safety Data Sheet (MSDS) for detailed safety instructions and emergency procedures.