Methyl 2-amino-3-(trifluoromethyl)benzoate

Basic Information

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CAS Number

64321-95-5

Molecular Formula

C9H8F3NO2

Molecular Weight

219.16 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

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

Boiling Point

262.1±40.0 ºC (760 Torr),

Density

1.343±0.06 g/cm3 (20 ºC 760 Torr),

Flash Point

112.3±27.3 ºC,

SMILES

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

InChI

InChI=1S/C9H8F3NO2/c1-15-8(14)5-3-2-4-6(7(5)13)9(10,11)12/h2-4H,13H2,1H3

InChIKey

COTQUWGKILPGMY-UHFFFAOYSA-N

LogP

2.0742000000000003

Topological Polar Surface Area

52.32 Å²

Hydrogen Bond Donor/Acceptor

2 / 3

Complexity

242

Synonyms & References

English

Methyl 2-amino-3-(trifluoromethyl)benzoate
METHYL 2-AMINO-3-TRIFLUOROMETHYLBENZOATE
Methyl 3-trifluoromethyl-2-aminobenzoate
2-amino-3-trifluoromethyl-benzoic acid,methyl ester
3-Trifluoromethylanthranilsaeure-methylester
methyl 2-amino-3-trifluoromethyl-benzoate
methyl 3-trifluoromethylanthranilate
Benzoic acid, 2-amino-3-(trifluoromethyl)-, methyl ester
COTQUWGKILPGMY-UHFFFAOYSA-N
CL8521
9853AB
methyl-3-trifluoromethyl-2-aminobenzoate
AB0087442
TL80074121
ST24047664
Benzoic acid,2-amino-3-(trifluoromethyl)-,methyl ester
methyl 2-amino-3-(trifluoromethyl)benzoate
Methyl 2-amino-3-trifluoromethylbenzoate
MFCD11226293
A867901
SB78951
SCHEMBL3531721
METHYL 2-AMINO-3-(TRIFLUOROMETHYL)BENZOATE
DB-351820
Methyl2-amino-3-(trifluoromethyl)benzoate
CS-0150894
DS-14749
DTXSID40508717
64321-95-5
EN300-2008355
AKOS010056925

MDL Number

MFCD11226293

Customs Code

2922499990

FAQ

What are the physical and chemical properties of Methyl 2-amino-3-(trifluoromethyl)benzoate (CAS: 64321-95-5)?

Methyl 2-amino-3-(trifluoromethyl)benzoate (CAS: 64321-95-5) is a crystalline compound with a molecular weight of approximately 269.13 g/mol. It has a low water solubility and moderate solubility in organic solvents. This compound is highly reactive due to the presence of a trifluoromethyl group and an amino group, which can participate in various chemical reactions.

How is methyl 2-amino-3-(trifluoromethyl)benzoate (CAS: 64321-95-5) typically synthesized?

Methyl 2-amino-3-(trifluoromethyl)benzoate (CAS: 64321-95-5) is synthesized through the reaction of 2-amino-3-(trifluoromethyl)benzoic acid with methyl alcohol in the presence of an acid catalyst. The reaction is typically carried out at room temperature, leading to good yield and selectivity. Care must be taken to handle the acid catalyst and the resulting product safely.

What industries use methyl 2-amino-3-(trifluoromethyl)benzoate (CAS: 64321-95-5)?

Methyl 2-amino-3-(trifluoromethyl)benzoate (CAS: 64321-95-5) is used in various industries, including pharmaceuticals for the synthesis of certain drugs, and in the production of specialized materials such as polymers and sensors. It is also used in the development of semiconductor materials due to its unique structural and chemical properties.

What precautions should be taken when handling methyl 2-amino-3-(trifluoromethyl)benzoate (CAS: 64321-95-5)?

When handling methyl 2-amino-3-(trifluoromethyl)benzoate (CAS: 64321-95-5), it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood to avoid inhalation. Spills should be cleaned up immediately using appropriate absorbents, and proper disposal methods should be followed. Always refer to the safety data sheet (SDS) for detailed handling and emergency procedures.