4-(Trifluoromethyl)phthalic acid

Basic Information

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CAS Number

835-58-5

Molecular Formula

C9H5F3O4

Molecular Weight

234.13 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

151.0 to 158.0 deg-C

Boiling Point

350.9°C at 760 mmHg

Density

1.581

Flash Point

166℃

Refractive Index

1.521

SMILES

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OC(=O)c1cc(ccc1C(=O)O)C(F)(F)F

InChI

InChI=1S/C9H5F3O4/c10-9(11,12)4-1-2-5(7(13)14)6(3-4)8(15)16/h1-3H,(H,13,14)(H,15,16)

InChIKey

VNLYHYHJIXGBFX-UHFFFAOYSA-N

LogP

2.1018

Topological Polar Surface Area

74.6 Å²

Hydrogen Bond Donor/Acceptor

2 / 4

Complexity

300

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

4-(Trifluoromethyl)phthalic acid
4-Trifluoromethylphthalic Acid
1,2-Benzenedicarboxylicacid, 4-(trifluoromethyl)-
4-trifluoromethyl-phthalic acid
VNLYHYHJIXGBFX-UHFFFAOYSA-N
1,2-Benzenedicarboxylic acid, 4-(trifluoromethyl)-
KSC446E0H
VNLYHYHJIXGBFX-UHFFFAOYSA-
4-(trifluoromethyl)-phthalic acid
4-(trifluoromethyl) phthalic acid
WT288
S
ST2405495
AX8007199
W8

MDL Number

MFCD00671572

Customs Code

2917399090

FAQ

What regulatory guidelines apply to 4-(Trifluoromethyl)phthalic acid (CAS: 835-58-5)?

4-(Trifluoromethyl)phthalic acid (CAS: 835-58-5) is regulated under the Globally Harmonized System of Classification and Labelling of Chemicals (GHS), REACH regulations in the EU, and by the FDA and EPA in the U.S. It is classified as a hazardous substance based on its corrosive properties and other potential health and environmental impacts. Specific handling and storage guidelines are required to ensure safety and compliance with these regulations.

Are there alternatives to 4-(Trifluoromethyl)phthalic acid (CAS: 835-58-5) in synthesis?

There are several alternatives to 4-(Trifluoromethyl)phthalic acid (CAS: 835-58-5) for use in synthesis, including other phthalic acids, fluorinated carboxylic acids, and related compounds. Common substitutes include trifluoromethylbenzoic acid and pentafluorophenol. These alternatives may offer similar chemical functionalities but with different structural and reactivity profiles.

What is the market or research trend for 4-(Trifluoromethyl)phthalic acid (CAS: 835-58-5)?

The market for 4-(Trifluoromethyl)phthalic acid (CAS: 835-58-5) is driven by its use in pharmaceuticals, agrochemicals, and polymer synthesis. Research trends indicate an increasing interest in its role as a precursor for fluorinated compounds and its potential in developing new materials with improved properties. Additionally, there is a growing focus on sustainable and eco-friendly alternatives in the industry.

How should waste containing 4-(Trifluoromethyl)phthalic acid (CAS: 835-58-5) be handled?

Waste containing 4-(Trifluoromethyl)phthalic acid (CAS: 835-58-5) should be collected in appropriate containers and stored in a well-ventilated area away from incompatible materials. It should be disposed of through professional waste disposal services to ensure proper incineration or neutralization to minimize environmental impact. Always follow local regulations and adhere to safety precautions to prevent hazards during disposal.