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

Basic Information

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CAS Number

119385-80-7

Molecular Formula

C7H4F3NO2

Molecular Weight

191.11 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Amines

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

SMILES

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

InChI

InChI=1S/C7H4F3NO2/c8-3-1-2(7(12)13)4(9)6(11)5(3)10/h1H,11H2,(H,12,13)

InChIKey

NVWVZPFPZJYLNK-UHFFFAOYSA-N

LogP

1.3843

Topological Polar Surface Area

63.32000000000001 Å²

Hydrogen Bond Donor/Acceptor

3 / 3

Complexity

214

Safety Information

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Hazard Statement

Synonyms & References

English

NVWVZPFPZJYLNK-UHFFFAOYSA-N
CS-0210989
3-amino-2,4,5-trifluorobenzoic acid
119385-80-7
AKOS006229004
DTXSID70371037
MFCD00077453
SCHEMBL3226637
Benzoic acid, 3-amino-2,4,5-trifluoro-
I10110
Ethyl2-(1H-benzimidazol-2-ylthio)propanoate
FT-0614922
AS-49411
3-amino-2,4,5-trifluoro-benzoic Acid
A804271
3-Amino-2,4,5-trifluorobenzoic acid
3-amino-2,4,5-trifluoro-benzoic acid
Benzoic acid,3-amino-2,4,5-trifluoro
3-Amino-2,4,5-trifluorobenzoicacid97%
3-Amino-2,4,5-trifluorobenzoic acid 97%
Benzoic acid, 3-amino-2,4,5-trifluoro- (9CI)

MDL Number

MFCD00077453

Customs Code

2922499990

FAQ

What are the physical and chemical properties of 3-Amino-2,4,5-trifluorobenzoic acid (CAS: 119385-80-7)?

3-Amino-2,4,5-trifluorobenzoic acid is a white crystalline solid with a molecular weight of 229.04 g/mol. It is slightly soluble in water and more soluble in organic solvents. The compound is moderately reactive due to the presence of functional groups such as the carboxylic acid and amino groups. It exhibits weak basic and acidic properties, and its reactivity can be influenced by the presence of fluorine atoms, which enhance its polarity and solubility.

How is 3-Amino-2,4,5-trifluorobenzoic acid (CAS: 119380-7) typically synthesized?

3-Amino-2,4,5-trifluorobenzoic acid can be synthesized through various methods, including the Friedel-Crafts alkylation of benzoic acid followed by nucleophilic substitution with ammonia. The synthesis often requires the use of Lewis acids as catalysts, such as aluminum chloride, and the process typically yields up to 85% purity. Specific conditions and reagents may vary depending on the desired purity and scale of production.

What industries use 3-Amino-2,4,5-trifluorobenzoic acid (CAS: 119385-80-7)?

3-Amino-2,4,5-trifluorobenzoic acid is used in various industries. It is a key intermediate in the synthesis of pharmaceuticals, particularly in the development of anti-inflammatory and analgesic drugs. It also finds applications in polymer chemistry, where it serves as a functional monomer. Additionally, the compound is used in the production of sensors and semiconductors due to its unique electronic properties.

What precautions should be taken when handling 3-Amino-2,4,5-trifluorobenzoic acid (CAS: 119385-80-7)?

When handling 3-Amino-2,4,5-trifluorobenzoic acid, it is essential to use appropriate personal protective equipment (PPE), including gloves, safety goggles, and a lab coat. The compound should be stored in a cool, dry place away from direct sunlight and moisture. It is important to work in a well-ventilated area or fume hood to minimize inhalation risks. In case of a spill, immediately clean up the area using appropriate absorbent materials and follow the safety data sheet (SDS) guidelines for disposal. Always wash hands thoroughly after handling the compound.