4-Amino-3-(trifluoromethyl)benzoic acid

Basic Information

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CAS Number

400-76-0

Molecular Formula

C8H6F3NO2

Molecular Weight

205.14 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

Basic Physical Properties

Melting Point

206-207 ºC

SMILES

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C1=CC(=C(C=C1C(=O)O)C(F)(F)F)N

InChI

InChI=1S/C8H6F3NO2/c9-8(10,11)5-3-4(7(13)14)1-2-6(5)12/h1-3H,12H2,(H,13,14)

InChIKey

NPPPORJZPNJXNQ-UHFFFAOYSA-N

LogP

1.9858000000000002

Topological Polar Surface Area

63.32000000000001 Å²

Hydrogen Bond Donor/Acceptor

3 / 3

Complexity

229

Safety Information

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Hazard Class

Class IRRITANT Class IRRITANT

Sensitiveness

Air Sensitive

Synonyms & References

English

4-Amino-3-trifluoromethylbenzioc acid
4-amino-3-trifluoromethylbenzoicacid
4-Amino-3-(Trifluoromethyl)Benzoic Acid 3-Trifluoromethyl-4-Aminobenzoic Acid
DTXSID90390689
FT-0602439
MFCD03407960
4-amino-3-(trifluoromethyl)benzoicacid
4-Amino-3-trifluoromethyl-benzoic acid
CL8104
4-amino-3-(trifluoromethyl) benzoic acid
Benzoic acid, 4-amino-3-(trifluoromethyl)-
AKOS005255278
SB77838
4-Amino-3-trifluoromethylbenzoic acid
CS-0157133
GS-3525
AM84004
SCHEMBL498590
AC-3898
EN300-109439
4-Amino-3-trifluoromethyl benzoic acid
SY032187
4-amino-5-trifluoromethylbenzoic acid
4-amino-3-(trifluoromethyl)benzoic acid
J-514344
400-76-0
4-Amino-5-trifluoromethylbenzoic Acid
4-Amino-3-(trifluoromethyl)benzoic acid
4-amino-3-trifluoromethylbenzioc acid
4-amino-3-trifluoromethylbenzoic acid
4-AMINO-5-TRIFLUOROMETHYLBENZOIC ACID,WHITE SOLID

MDL Number

MFCD03407960

Customs Code

2922499990

FAQ

What are the physical and chemical properties of 4-Amino-3-(trifluoromethyl)benzoic acid (CAS: 400-76-0)?

4-Amino-3-(trifluoromethyl)benzoic acid is a white crystalline solid with a molecular weight of approximately 263.08 g/mol. It has low water solubility (less than 0.1 g/L at 20°C) but is soluble in organic solvents like DMSO and acetonitrile. This compound is known for its low reactivity and stability under normal conditions.

How is 4-Amino-3-(trifluoromethyl)benzoic acid (CAS: 400-76-0) typically synthesized?

4-Amino-3-(trifluoromethyl)benzoic acid is typically synthesized through a multi-step process starting from benzoic acid. The key steps include trifluoromethylation of benzoic acid followed by reduction to form the amino group. The synthesis requires mild conditions and can be catalyzed by various reagents to achieve high selectivity and yield.

What industries use 4-Amino-3-(trifluoromethyl)benzoic acid (CAS: 400-76-0)?

4-Amino-3-(trifluoromethyl)benzoic acid (CAS: 400-76-0) is used in the pharmaceutical industry for synthesizing certain drug intermediates. It is also utilized in the polymer industry as a monomer or additive, and in the semiconductor industry for its electronic properties. Additionally, it is explored in sensor technology for its specific chemical reactivity.

What precautions should be taken when handling 4-Amino-3-(trifluoromethyl)benzoic acid (CAS: 400-76-0)?

When handling 4-Amino-3-(trifluoromethyl)benzoic acid (CAS: 400-76-0), it is important to use personal protective equipment (PPE) such as gloves and safety goggles. This compound should be stored in a cool, dry place away from direct sunlight and heat sources. In case of a spill, it should be absorbed using appropriate materials and the area should be cleaned with water. Always refer to the Material Safety Data Sheet (MSDS) for detailed safety information.