4-Bromo-2-(trifluoromethyl)benzoic acid

Basic Information

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CAS Number

320-31-0

Molecular Formula

C8H4BrF3O2

Molecular Weight

269.02 g/mol

EINECS

642-807-6

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

Physical State

White to Almost white

Melting Point

121.0 to 125.0 °C

Boiling Point

275.2±40.0 °C(Predicted)

Density

1.773±0.06 g/cm3(Predicted)

Flash Point

120.2°C

Solubility

soluble in Methanol

Refractive Index

1.516

SMILES

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C1=CC(=C(C=C1Br)C(F)(F)F)C(=O)O

InChI

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

InChIKey

JXHWAPDBDXPBEQ-UHFFFAOYSA-N

LogP

3.1661

pKa

3.00±0.36(Predicted)

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

Synonyms & References

English

EN300-56066
SCHEMBL257339
CS-W008305
MFCD07787468
2-Trifluoromethyl-4-bromobenzoic acid;Benzoic acid, 4-bromo-2-(trifluoromethyl)-
AC-3924
PB42536
PS-7298
J-514595
4-Bromo-2-trifluoromethylbenzoic acid
Benzoic acid, 4-bromo-2-(trifluoromethyl)-
4-Bromo-2-(Trifluoromethyl)BenzoicAcid
CL8107
4-Bromo-2-(trifluoromethyl)-benzoic acid
4-Bromo-2-trifluoromethyl benzoic acid
BCP32335
DTXSID70648655
SY021386
B4843
4-Bromo-2-(Trifluoromethyl) Benzoic Acid
AKOS005063591
4-bromo-2-(trifluoromethyl)benzoic acid
FT-0648014
2-TRIFLUOROMETHYL-4-BROMOBENZOIC ACID
AM61454
320-31-0
2-Trifluoromethyl-4-bromobenzoic acid
4-Bromo-2-(Trifluoromethyl) Benzoic Acid 2-(Trifluoromethyl)-4-Bromo Benzoic Acid
2-Bromo-2-trifluoromethyl benzoic acid
5-Bromo-2-carboxybenzotrifluoride
2-TRIFLUOROMETHYL-4-BROMOBENZOIC ACID(RS20008676)

MDL Number

MFCD07787468

EC Number

642-807-6

Customs Code

2916399090

FAQ

What regulatory guidelines apply to 4-Bromo-2-(trifluoromethyl)benzoic acid (CAS: 320-31-0)?

4-Bromo-2-(trifluoromethyl)benzoic acid (CAS: 320-31-0) falls under the classification of hazardous chemicals. Regulatory guidelines include the Globally Harmonized System of Classification and Labeling of Chemicals (GHS) for safety data sheets and labeling. In the European Union, it must comply with REACH regulations. For the USA, it is regulated by the FDA for pharmaceutical use and by the EPA for environmental protection.

Are there alternatives to 4-Bromo-2-(trifluoromethyl)benzoic acid (CAS: 320-31-0) in synthesis?

Alternatives to 4-Bromo-2-(trifluoromethyl)benzoic acid (CAS: 320-31-0) in synthesis include analogs like 2-(trifluoromethyl)benzoic acid and bromo-substituted benzoic acids. Common alternative reagents include trifluoromethylbenzoic acid derivatives and bromine compounds. These alternatives can provide similar functional groups for various synthetic routes.

What is the market or research trend for 4-Bromo-2-(trifluoromethyl)benzoic acid (CAS: 320-31-0)?

The market for 4-Bromo-2-(trifluoromethyl)benzoic acid (CAS: 320-31-0) is driven by its use in pharmaceutical and chemical synthesis. Research trends focus on its application in developing new drug candidates and as a key intermediate in organic synthesis. Market trends indicate increasing demand due to its unique structural properties and potential in various industrial applications.

How should waste containing 4-Bromo-2-(trifluoromethyl)benzoic acid (CAS: 320-31-0) be handled?

Waste containing 4-Bromo-2-(trifluoromethyl)benzoic acid (CAS: 320-31-0) should be collected in sealed containers and stored in a well-ventilated area. For safe disposal, it is recommended to incinerate or use professional waste disposal services. Ensure proper precautions are taken to prevent environmental contamination and follow local regulations for hazardous waste disposal.