2-Iodo-4-(trifluoromethyl)benzoic acid

Basic Information

View in Editor

CAS Number

54507-44-7

Molecular Formula

C8H4F3IO2

Molecular Weight

316.02 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

Boiling Point

300.8℃/760mmHg

Solubility

Slightly soluble.

SMILES

View in Editor

OC(=O)c1ccc(cc1I)C(F)(F)F

InChI

InChI=1S/C8H4F3IO2/c9-8(10,11)4-1-2-5(7(13)14)6(12)3-4/h1-3H,(H,13,14)

InChIKey

WCLYLTXCKMZNOH-UHFFFAOYSA-N

LogP

3.0082000000000004

Topological Polar Surface Area

37.3 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

229

Safety Information

View Safety Information

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Sensitiveness

Light Sensitive

Synonyms & References

English

2-IODO-4-TRIFLUOROMETHYL-BENZOIC ACID
2-iodo-4-(trifluoromethyl)Benzoic acid
2-Iodo-4-trifluoromethylbenzoic acid
Benzoic acid, 2-iodo-4-(trifluoromethyl)-
2-iodo-4-trifluoromethylbenzoicacid
WCLYLTXCKMZNOH-UHFFFAOYSA-N
WT021
RW1286
CL8049
FC1081
FCH1378117
PC49379
AM83994
ST2416981
AB0025413
2-iodo-4-(trifluoromethyl)benzoic acid

MDL Number

MFCD06408817

Customs Code

2916399090

FAQ

What is 2-Iodo-4-(trifluoromethyl)benzoic acid (CAS: 54507-44-7)?

2-Iodo-4-(trifluoromethyl)benzoic acid (CAS: 54507-44-7) is an aromatic carboxylic acid. Its chemical formula is C9H5IO3F3. This compound is characterized by its high reactivity and stability, with a pKa of approximately 2.85. It is used in organic synthesis and as a reagent in various chemical reactions.

What are the main uses of 2-Iodo-4-(trifluoromethyl)benzoic acid (CAS: 54507-44-7)?

2-Iodo-4-(trifluoromethyl)benzoic acid (CAS: 54507-44-7) is primarily used in organic synthesis and as a functional group in medicinal chemistry. It serves as a precursor in the development of pharmaceuticals and as a reagent for preparing other compounds. Additionally, it is utilized in academic research for studying chemical reactions and mechanisms.

Is 2-Iodo-4-(trifluoromethyl)benzoic acid (CAS: 54507-44-7) safe?

2-Iodo-4-(trifluoromethyl)benzoic acid (CAS: 54507-44-7) requires caution due to its reactivity. It should be handled with appropriate personal protective equipment, including gloves and goggles. Spills should be cleaned up carefully, and the compound should be stored in a cool, dry place away from direct sunlight and moisture.

How should 2-Iodo-4-(trifluoromethyl)benzoic acid (CAS: 54507-44-7) be stored?

2-Iodo-4-(trifluoromethyl)benzoic acid (CAS: 54507-44-7) should be stored in a cool, dry place with a temperature below 25°C. It should be protected from direct sunlight and stored in a tightly sealed container to minimize exposure to moisture. Avoid storing it near incompatible materials to prevent reactions.