2-Bromo-4-(trifluoromethyl)phenol

Basic Information

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CAS Number

81107-97-3

Molecular Formula

C7H4BrF3O

Molecular Weight

241.01 g/mol

Chemical Classification

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Boiling Point

196.7°C at 760 mmHg

Density

1.752

Flash Point

72.8℃

Refractive Index

1.4960 to 1.5000

SMILES

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

InChI

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

InChIKey

DTEDKIRYMYDIGO-UHFFFAOYSA-N

LogP

3.1735000000000007

Topological Polar Surface Area

20.23 Å²

Hydrogen Bond Donor/Acceptor

1 / 1

Complexity

159

Safety Information

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Hazard Statement

H227 Combustible liquid
Flammable liquids

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Synonyms & References

English

MFCD06657954
AKOS005259238
DTXSID30375596
Phenol, 2-bromo-4-(trifluoromethyl)-
B4492
FT-0647525
4-trifluoromethyl-2-bromophenol
J-508251
3-BROMO-4-HYDROXYBENZOTRIFLUORIDE
81107-97-3
2-bromo-4-trifluoromethyl-phenol
A15965
SCHEMBL1290586
PS-7578
BP-10422
2-Bromo-4-(trifluoromethyl)phenol
40D
SY017920
CS-W003301
EN300-129238
AM61667
2-Bromo-4-Trifluoromethylphenol
PubChem18455
KSC495C0J
DTEDKIRYMYDIGO-UHFFFAOYSA-N
SBB099359
BBL101520
STL555316
VZ23954
AS05460
TRA0072166

MDL Number

MFCD06657954

Customs Code

2908199090

FAQ

What are the physical and chemical properties of 2-Bromo-4-(trifluoromethyl)phenol (CAS: 81107-97-3)?

2-Bromo-4-(trifluoromethyl)phenol is a white crystalline solid with a molecular weight of approximately 257.03 g/mol. It is slightly soluble in water but soluble in organic solvents like ethanol and acetone. Chemically, it is relatively stable but can react with nucleophiles under certain conditions. It has a pKa of approximately 7.5 and is a strong electron-withdrawing compound due to the trifluoromethyl group.

How is 2-Bromo-4-(trifluoromethyl)phenol (CAS: 81107-97-3) typically synthesized?

2-Bromo-4-(trifluoromethyl)phenol is typically synthesized by bromination of 4-(trifluoromethyl)phenol using a Br2/SO3/H2SO4 mixture. The reaction is conducted under anhydrous conditions to ensure high purity. The yield is usually around 80-90%, with good selectivity towards the brominated product.

What industries use 2-Bromo-4-(trifluoromethyl)phenol (CAS: 81107-97-3)?

2-Bromo-4-(trifluoromethyl)phenol is used in the pharmaceutical industry for the synthesis of certain drug intermediates and in the organic synthesis of novel compounds. It is also used in the polymer industry for the development of high-performance polymers and in the electronics industry for manufacturing semiconductors and sensors.

What precautions should be taken when handling 2-Bromo-4-(trifluoromethyl)phenol (CAS: 81107-97-3)?

When handling 2-Bromo-4-(trifluoromethyl)phenol, it is important to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. The compound should be stored in a cool, dry place away from heat sources and oxidizing agents. In case of a spill, it should be handled in a fume hood using appropriate absorbent materials. Always refer to the Safety Data Sheet (SDS) for detailed handling and disposal instructions.