2-Amino-3-(trifluoromethoxy)benzoic acid

Basic Information

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CAS Number

561304-41-4

Molecular Formula

C8H6F3NO3

Molecular Weight

221.13 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

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

99-101 ºC

Boiling Point

283 ºC

Density

1.528

Flash Point

125 ºC

SMILES

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

InChI

InChI=1S/C8H6F3NO3/c9-8(10,11)15-5-3-1-2-4(6(5)12)7(13)14/h1-3H,12H2,(H,13,14)

InChIKey

BQPQFVVEWXYRMH-UHFFFAOYSA-N

LogP

1.8656000000000001

Topological Polar Surface Area

72.55000000000001 Å²

Hydrogen Bond Donor/Acceptor

3 / 4

Complexity

244

Synonyms & References

English

2-amino-3-(trifluoromethoxy)benzoic Acid
Benzoic acid,2-amino-3-(trifluoromethoxy)-
Benzoic acid, 2-amino-3-(trifluoromethoxy)-
SY030345
CS-B0664
561304-41-4
AKOS015890023
MFCD08669644
2-amino-3-trifluoromethoxy-benzoic acid
SCHEMBL161228
A830925
FT-0652946
DTXSID70471743
SB79630
DS-1263
PS-7851
2-Amino-3-(trifluoromethoxy)benzoicacid
2-Amino-3-(trifluoromethoxy)benzoic acid
3-(Trifluoromethoxy)anthranilic acid
PubChem12910
KSC267M1R
BQPQFVVEWXYRMH-UHFFFAOYSA-N
PC5257
SBB052841
2-Carboxy-6-(trifluoromethoxy)aniline
VZ23556
BC250997
2-a
2-amino-3-(trifluoromethoxy)benzoic acid

MDL Number

MFCD08669644

Customs Code

2922509090

FAQ

What are the physical and chemical properties of 2-Amino-3-(trifluoromethoxy)benzoic acid (CAS: 561304-41-4)?

2-Amino-3-(trifluoromethoxy)benzoic acid (CAS: 561304-41-4) is a crystalline compound with a molecular weight of approximately 264.12 g/mol. It has a high solubility in water (10 g/L at 20°C) and poor solubility in common organic solvents. It is moderately reactive, forming stable complexes with metal ions and showing some basic and acidic properties.

How is 2-Amino-3-(trifluoromethoxy)benzoic acid (CAS: 561304-41-4) typically synthesized?

2-Amino-3-(trifluoromethoxy)benzoic acid is typically synthesized via the Friedel-Crafts amination of 3-(trifluoromethoxy)benzoic acid with an aromatic amine. The reaction is catalyzed by a Lewis acid like aluminum trichloride. The overall yield is moderate, around 60-70%, with good selectivity towards the target product.

What industries use 2-Amino-3-(trifluoromethoxy)benzoic acid (CAS: 561304-41-4)?

2-Amino-3-(trifluoromethoxy)benzoic acid finds applications in the pharmaceutical industry, particularly in the synthesis of various drug compounds. It is also used in the development of sensors and semiconductors due to its unique electronic properties. Additionally, it has potential uses in the polymer industry for specific functional polymer modification.

What precautions should be taken when handling 2-Amino-3-(trifluoromethoxy)benzoic acid (CAS: 561304-41-4)?

When handling 2-Amino-3-(trifluoromethoxy)benzoic acid (CAS: 561304-41-4), safety precautions include wearing appropriate personal protective equipment (PPE) such as gloves and goggles. Work in a fume hood to minimize exposure to vapors. Spills should be cleaned up with absorbent materials and disposed of according to local regulations. Always consult the Safety Data Sheet (SDS) for detailed handling and safety information.