3-Chloro-2,4,5-trifluorobenzoic acid

Basic Information

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CAS Number

101513-77-3

Molecular Formula

C7H2ClF3O2

Molecular Weight

210.54 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

112.0 to 116.0 deg-C

Boiling Point

272℃

Density

1.7±0.1 g/cm3

Flash Point

118°(244°F)

Vapor Pressure

0.0±0.6 mmHg at 25°C

SMILES

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

InChI

InChI=1S/C7H2ClF3O2/c8-4-5(10)2(7(12)13)1-3(9)6(4)11/h1H,(H,12,13)

InChIKey

KBESHLYCSZINAJ-UHFFFAOYSA-N

LogP

2.4555

Topological Polar Surface Area

37.3 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

214

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

C7H2ClF3O2
A19528
J-512179
SY022953
3-Chloro-2,4,5-trifluorobenzoicacid
FT-0602382
BCP16346
SCHEMBL2434231
3-Chloro-2,4,5-trifluorobenzoic acid
AS-14531
Benzoic acid, 3-chloro-2,4,5-trifluoro-
3-chloro-2,4,5trifluorobenzoic acid
CS-W015097
101513-77-3
3-chloro-2,4,5-trifluoro-benzoic Acid
3-Chloro-2,4,5-trifluorobenzoic acid, 97%
AKOS005063827
C2261
AC-3937
AMY7569
3-chloro-2,4,5,-trifluorobenzoic acid
KBESHLYCSZINAJ-UHFFFAOYSA-N
EN300-344229
2,4,5-Trifluoro-3-chlorobenzoicacid
MFCD00153101
2,4,5-Trifluoro-3-chlorobenzoic acid
DTXSID30370187
TIMTEC-BB SBB003448
3-Chloro-2,4,5-Trilfuorobenzoic acid
2,4,5-trifluoro-3-chlorobenzoic acid and derivatives
2,4,5-TRIFLUORO-3-CHLOROBENZOIC ACID AND THE DERIVATIVES

MDL Number

MFCD00153101

Customs Code

2916399090

FAQ

What is 3-Chloro-2,4,5-trifluorobenzoic acid (CAS: 101513-77-3)?

3-Chloro-2,4,5-trifluorobenzoic acid (CAS: 101513-77-3) is an organic compound containing a benzene ring substituted with three fluorine atoms and one chlorine atom, along with a carboxylic acid group. Its chemical formula is C7H3ClF3O2. The compound is known for its strong electron-withdrawing properties due to the fluorine and chlorine substituents, which influence its reactivity and biological activity.

What are the main uses of 3-Chloro-2,4,5-trifluorobenzoic acid (CAS: 101513-77-3)?

3-Chloro-2,4,5-trifluorobenzoic acid (CAS: 101513-77-3) is primarily used in pharmaceutical research as a building block for developing drugs with specific biological activity. It also finds applications in organic synthesis, agrochemical formulations, and as an intermediate in the production of various fluorinated compounds. Due to its chemical stability and reactivity, it is valuable in chemical research and industrial processes.

Is 3-Chloro-2,4,5-trifluorobenzoic acid (CAS: 101513-77-3) safe?

3-Chloro-2,4,5-trifluorobenzoic acid (CAS: 101513-77-3) is considered hazardous and requires careful handling. It may irritate the skin, eyes, and respiratory system, and prolonged exposure can pose health risks. Safety standards recommend using appropriate personal protective equipment (PPE), such as gloves and goggles, and working in a well-ventilated area. Always follow established safety protocols when handling this compound.

How should 3-Chloro-2,4,5-trifluorobenzoic acid (CAS: 101513-77-3) be stored?

3-Chloro-2,4,5-trifluorobenzoic acid (CAS: 101513-77-3) should be stored in a cool, dry, and dark place, away from moisture and incompatible substances. It is typically kept in a tightly sealed container at a temperature below 25°C. Avoid exposure to light and ensure proper ventilation to maintain stability and prevent degradation.