2-Amino-3-(trifluoromethyl)benzoic acid

Basic Information

View in Editor

CAS Number

313-12-2

Molecular Formula

C8H6F3NO2

Molecular Weight

205.13 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

157-160 °C

Boiling Point

296.9°Cat760mmHg

Density

1.489

Flash Point

133.3°C

Refractive Index

1.533

SMILES

View in Editor

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

InChI

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

InChIKey

UNLVJVQEDSDPIN-UHFFFAOYSA-N

LogP

1.9858

Topological Polar Surface Area

63.31999999999999 Å²

Hydrogen Bond Donor/Acceptor

3 / 3

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

Synonyms & References

English

DTXSID10345454
3-Trifluoromethylanthranilic acid
SB78500
2-amino-trifluoromethyl benzoic acid
AKOS005064001
A5670
AC-3893
2-Amino-3-(trifluoromethyl)benzoic acid
3-(Trifluoromethyl)anthranilic acid
SCHEMBL158167
2-Amino-3-(Trifluoromethyl)BenzoicAcid
3-trifluoromethyl-2-aminobenzoic acid
Z362758742
PS-8107
EN300-65904
2-Amino-3-trifluoromethyl benzoic acid
InChI=1/C8H6F3NO2/c9-8(10,11)5-3-1-2-4(6(5)12)7(13)14/h1-3H,12H2,(H,13,14
2-Amino-3-(trifluoromethyl)benzoic acid, 98% dry basis
FT-0631935
2-amino-3-trifluoromethyl-benzoic acid
Benzoic acid, 2-amino-3-trifluoromethyl-
J-507761
2-amino-3-(trifluoromethyl)-benzoic acid
CS-W009069
2-Amino-3-(trifluoromethyl)benzoic acid #
Benzoic acid, 2-amino-3-(trifluoromethyl)-
2-amino-3-trifluoromethylbenzoic acid
AM20050571
MFCD00274210
313-12-2
3-TRIFLUOROMETHYLANTHRANILIC ACID

MDL Number

MFCD00274210

FAQ

What are the physical and chemical properties of 2-Amino-3-(trifluoromethyl)benzoic acid (CAS: 313-12-2)?

2-Amino-3-(trifluoromethyl)benzoic acid (CAS: 313-12-2) is a crystalline solid with a molecular weight of approximately 257.09 g/mol. It has a high melting point of around 220-225°C and is slightly soluble in water. This compound is known for its reactivity, particularly in its ability to form salts and esters. Its chemical properties include acidity due to the carboxylic acid group and the presence of a trifluoromethyl group, which influences its reactivity and stability.

How is 2-Amino-3-(trifluoromethyl)benzoic acid (CAS: 313-12-2) typically synthesized?

2-Amino-3-(trifluoromethyl)benzoic acid (CAS: 313-12-2) can be synthesized through the modification of benzoic acid. One common method involves the trifluoromethylation of benzoic acid followed by the coupling with an amino group. This process requires appropriate catalysts and solvents to ensure selectivity and high yield. The synthesis typically involves the use of trifluoromethylating agents and amino compounds under controlled conditions to achieve the desired product.

What industries use 2-Amino-3-(trifluoromethyl)benzoic acid (CAS: 313-12-2)?

2-Amino-3-(trifluoromethyl)benzoic acid (CAS: 313-12-2) is primarily used in the pharmaceutical industry as an intermediate in the synthesis of various drugs. It is also utilized in the polymer industry for the production of specialty polymers and in the sensor and semiconductor sectors for specific applications requiring high purity and stability. Its unique chemical properties make it valuable in these specialized fields.

What precautions should be taken when handling 2-Amino-3-(trifluoromethyl)benzoic acid (CAS: 313-12-2)?

When handling 2-Amino-3-(trifluoromethyl)benzoic acid (CAS: 313-12-2), it is important to use appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. This compound should be handled in a well-ventilated area or fume hood to prevent inhalation. Spills should be cleaned up immediately with appropriate absorbent materials and proper disposal methods. Always consult the Safety Data Sheet (SDS) for detailed handling and emergency procedures.