2-(Bromomethyl)-1-fluoro-3-(trifluoromethyl)benzene

Basic Information

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CAS Number

239087-08-2

Molecular Formula

C8H5BrF4

Molecular Weight

257.02 g/mol

Chemical Classification

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

42.0 to 46.0 deg-C

Boiling Point

186 ºC

Refractive Index

1.472

SMILES

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C1=CC(=C(C(=C1)F)CBr)C(F)(F)F

InChI

InChI=1S/C8H5BrF4/c9-4-5-6(8(11,12)13)2-1-3-7(5)10/h1-3H,4H2

InChIKey

RINUERVPFANASB-UHFFFAOYSA-N

LogP

3.7394000000000007

Topological Polar Surface Area

0.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 0

Complexity

168

Safety Information

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GHS Hazard Pictograms

H314

Hazard Statement

H314 Causes severe skin burns and eye damage
Skin corrosion/irritation

Hazard Class

Class 8 Class 8

Sensitiveness

Lachrymatory

Synonyms & References

English

CL8707
MFCD00082477
Benzene, 2-(bromomethyl)-1-fluoro-3-(trifluoromethyl)-
2-Fluoro-6-(trifluoromethyl)benzyl bromide
2-fluoro-6-trifluoromethylbenzyl bromide
2-(bromomethyl)-1-fluoro-3-(trifluoromethyl)benzene
CS-W010176
2-fluoro-6-(trifluoromethyl)benzylbromide
2-Bromomethyl-3-fluorobenzotrifluoride
239087-08-2
AKOS015854287
SCHEMBL488856
2-bromomethyl-1-fluoro-3-trifluoromethyl-benzene
alpha'-Bromo-alpha,alpha,alpha,3-tetrafluoro-o-xylene
BM-0758
AM84064
FT-0612388
2-Fluoro-6-(trifluoromethyl)benzyl bromide, 98%
2-Fluoro-6-trifluoromethyl benzyl bromide
EN300-7399121
F0732
A4973
2-fluoro-6-trifluoromethylbenzylbromide
DTXSID00372153
2-Fluoro-6-trifluoromethylbenzyl bromide
-ALPHA-BROMO-2-FLUORO-6-(TRIFLUOROMETHYL)TOLUENE
a-Bromo-2-fluoro-6-(trifluoromethyl)toluene
2-FLUORO-6-(TRIFLUOROMETHYL)BENZYL BROMI
à-bromo-2-fluoro-6-(trifluoromethyl)toluene
2-(Bromomethyl)-1-fluoro-3-(trifluoromethyl)benzene
α'-Bromo-α,α,α,3-tetrafluoro-o-xylene

MDL Number

MFCD00082477

Customs Code

2903999090

FAQ

What are the physical and chemical properties of 2-(Bromomethyl)-1-fluoro-3-(trifluoromethyl)benzene (CAS: 239087-08-2)?

2-(Bromomethyl)-1-fluoro-3-(trifluoromethyl)benzene is a colorless liquid with a molecular weight of approximately 311.97 g/mol. It has a solubility of about 0.05 g/L in water and is highly soluble in organic solvents. Chemically, it is relatively stable but can react with nucleophiles under certain conditions.

How is 2-(Bromomethyl)-1-fluoro-3-(trifluoromethyl)benzene (CAS: 239087-08-2) typically synthesized?

2-(Bromomethyl)-1-fluoro-3-(trifluoromethyl)benzene is synthesized via a bromination reaction of 1-fluoro-3-(trifluoromethyl)benzene, followed by a coupling reaction. The synthesis typically involves palladium catalysts and requires controlled conditions to achieve high yield and selectivity.

What industries use 2-(Bromomethyl)-1-fluoro-3-(trifluoromethyl)benzene (CAS: 239087-08-2)?

2-(Bromomethyl)-1-fluoro-3-(trifluoromethyl)benzene is used in the pharmaceutical industry for the synthesis of certain drug candidates. It is also applied in the polymer industry for the development of specialized polymers and in the electronics sector for use in semiconductor materials.

What precautions should be taken when handling 2-(Bromomethyl)-1-fluoro-3-(trifluoromethyl)benzene (CAS: 239087-08-2)?

When handling 2-(Bromomethyl)-1-fluoro-3-(trifluoromethyl)benzene, appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat should be worn. Work should be conducted in a fume hood to minimize exposure. Spills should be handled with appropriate absorbent materials and the substance should be disposed of according to local regulations. Always refer to the Safety Data Sheet (SDS) for detailed information.