2,4,5-Trifluoro Benzoic Acid

Basic Information

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CAS Number

446-17-3

Molecular Formula

C7H3F3O2

Molecular Weight

176.09 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

Electronic Chemicals Semiconductor Materials Etchants

Basic Physical Properties

Melting Point

94-96 °C

Boiling Point

241.9°C at 760 mmHg

Flash Point

100.1℃

Refractive Index

1.49?

SMILES

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C1=C(C(=CC(=C1F)F)F)C(=O)O

InChI

InChI=1S/C7H3F3O2/c8-4-2-6(10)5(9)1-3(4)7(11)12/h1-2H,(H,11,12)

InChIKey

AKAMNXFLKYKFOJ-UHFFFAOYSA-N

LogP

1.8021000000000003

Topological Polar Surface Area

37.3 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

186

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

446-17-3
AKAMNXFLKYKFOJ-UHFFFAOYSA-
Z1203162173
F0001-1214
SY009667
CS-W021496
2,4,5-Trifluorobenzoicacid
J-507056
AC-4008
AM20040492
T1586
2,4,5-Trifluorobenzoic acid, 99%
2,4,5-Trifluorobenzoic acid
2,4,5-trifluoro-benzoic acid
EN300-106715
FT-0609805
AS-9410
SCHEMBL363928
InChI=1/C7H3F3O2/c8-4-2-6(10)5(9)1-3(4)7(11)12/h1-2H,(H,11,12)
DTXSID20334571
NS00020417
AB01123
AKOS005063814
Benzoic acid, 2,4,5-trifluoro-
A7082
MFCD00013306
2,4,5-trifluoro benzoic acid
AC-18421
2,4,5-Trifluor-benzoesaeure
2,4,5-trifluorobenzenecarboxylic acid
2,4,5-trifluorobenzoate

MDL Number

MFCD00013306

Customs Code

2916399090

FAQ

What is 2,4,5-Trifluoro Benzoic Acid (CAS: 446-17-3)?

2,4,5-Trifluoro Benzoic Acid (CAS 446-17-3) is an organic compound with the chemical formula C7H3FO3. It is a substituted benzoic acid where three fluorine atoms are attached to the benzene ring at positions 2, 4, and 5. This compound is known for its strong acidic properties and is commonly used in various chemical applications due to its unique reactivity and stability.

What are the main uses of 2,4,5-Trifluoro Benzoic Acid (CAS: 446-17-3)?

2,4,5-Trifluoro Benzoic Acid (CAS 446-17-3) is widely used in pharmaceutical research as a key intermediate in drug synthesis. It also finds applications in the production of agrochemicals, dyes, and specialty chemicals. Additionally, it is used in organic synthesis for its fluorinated structure, which can enhance the biological activity and metabolic properties of final compounds.

Is 2,4,5-Trifluoro Benzoic Acid (CAS: 446-17-3) safe?

2,4,5-Trifluoro Benzoic Acid (CAS 446-17-3) is generally considered safe when handled properly, but it should be treated with caution due to its potential irritancy. It is important to follow standard safety protocols, including the use of personal protective equipment (PPE), to minimize exposure. Always adhere to local safety regulations and guidelines for chemical handling.

How should 2,4,5-Trifluoro Benzoic Acid (CAS: 446-17-3) be stored?

2,4,5-Trifluoro Benzoic Acid (CAS 446-17-3) should be stored in a cool, dry, and well-ventilated place away from light. It is recommended to keep it in a sealed container to prevent moisture absorption. Storage at temperatures below 25°C and in a controlled humidity environment ensures stability and prolongs shelf life.