3-bromo-5-(trifluoromethyl)benzoic acid

Basic Information

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CAS Number

328-67-6

Molecular Formula

C8H4BrF3O2

Molecular Weight

269.02 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

133.0 to 137.0 deg-C

Boiling Point

284.3℃ at 760 mmHg

Flash Point

154.5℃

SMILES

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

InChI

InChI=1S/C8H4BrF3O2/c9-6-2-4(7(13)14)1-5(3-6)8(10,11)12/h1-3H,(H,13,14)

InChIKey

AMZBKZQMAZWIJM-UHFFFAOYSA-N

LogP

3.1661

Topological Polar Surface Area

37.3 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

229

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

3-Bromo-5-(trifluoromethyl) benzoic acid
CS-W004826
3-bromo-5-(trifluoromethyl)benzoic acid;3-Bromo-5-trifluoromethylbenzoic acid
AKOS005256161
SCHEMBL494019
SY016343
3-Bromo-5-trifluoromethylbenzoicacid
5-bromo-3-trifluoromethyl-benzoic acid
AM20060115
3-Bromo-5-(trifluoromethyl)benzoic acid
Benzoic acid, 3-bromo-5-(trifluoromethyl)-
3-trifluoromethyl-5-bromobenzoic acid
EN300-118682
AC-3923
3-bromo-5-trifluoromethylbenzoic acid
PS-7297
3-bromo-5-trifluoromethyl benzoic acid
MFCD03412186
3-Bromo-5-trifluoromethyl-benzoic acid
5-bromo-3-(trifluoromethyl)benzoic acid
J-511980
B4533
328-67-6
DTXSID20454763
FT-0600633
3-Bromo-5-(trifluoromethyl)benzoicacid
AB14379
Bromotrifluoromethylbenzoic acid
3-Bromo-5-trifluoromethylbenzoic acid
3-bromo-5-(trifluoromethyl)benzoic acid

MDL Number

MFCD03412186

Customs Code

2916399090

FAQ

What are the physical and chemical properties of 3-bromo-5-(trifluoromethyl)benzoic acid (CAS: 328-67-6)?

3-Bromo-5-(trifluoromethyl)benzoic acid (CAS: 328-67-6) is a white crystalline solid at room temperature. Its molecular weight is approximately 286.04 g/mol. This compound is slightly soluble in water and more soluble in organic solvents like ethanol and acetonitrile. It is moderately reactive, showing mild acidity and can undergo typical carboxylic acid reactions such as esterification and acylation. It is also prone to bromination and trifluoromethylation reactions.

How is 3-bromo-5-(trifluoromethyl)benzoic acid (CAS: 328-67-6) typically synthesized?

3-Bromo-5-(trifluoromethyl)benzoic acid is typically synthesized through a multi-step process. Starting from benzoic acid, a trifluoromethyl group is introduced using an appropriate trifluoromethylating agent such as triflic anhydride. The resulting intermediate is then brominated using N-bromosuccinimide (NBS) or similar reagents. The reaction conditions include the use of a radical initiator and careful control of temperature to achieve a high yield and good selectivity.

What industries use 3-bromo-5-(trifluoromethyl)benzoic acid (CAS: 328-67-6)?

3-Bromo-5-(trifluoromethyl)benzoic acid (CAS: 328-67-6) finds applications in various industries. It is primarily used in the pharmaceutical and polymer industries due to its reactivity and ability to form stable derivatives. In the pharmaceutical sector, it serves as a precursor for the synthesis of complex organic molecules used in drug development. In the polymer industry, it is utilized in the synthesis of advanced materials with unique properties. Additionally, it is used in sensor technologies and semiconductor manufacturing for its chemical stability and reactivity.

What precautions should be taken when handling 3-bromo-5-(trifluoromethyl)benzoic acid (CAS: 328-67-6)?

When handling 3-bromo-5-(trifluoromethyl)benzoic acid (CAS: 328-67-6), it is essential to use appropriate personal protective equipment (PPE) such as gloves, goggles, and lab coats. This compound requires handling in a fume hood due to its volatility and potential for inhalation hazards. Spills should be managed using appropriate absorbent materials and washed down with water. Always refer to the Safety Data Sheet (SDS) for detailed emergency procedures and storage recommendations to ensure safe handling and disposal. Avoid direct contact with skin and eyes, and ensure good ventilation in the work area.