Butyl 2-{[3-(trifluoromethyl)phenyl]amino}benzoate

Basic Information

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CAS Number

67330-25-0

Molecular Formula

C18H18F3NO2

Molecular Weight

337.34 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

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Physical State

Solid

Melting Point

No data available

Boiling Point

170°C/1mmHg

Density

1.220±0.06 g/cm3 (20 ºC 760 Torr),

Flash Point

192.2±27.9 °C

Solubility

Insuluble (5.4E-4 g/L) (25 ºC),

Refractive Index

1.5530 to 1.5570

Vapor Pressure

0.0±0.9 mmHg at 25°C

SMILES

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CCCCOC(=O)C1=CC=CC=C1NC2=CC=CC(=C2)C(F)(F)F

InChI

InChI=1S/C18H18F3NO2/c1-2-3-11-24-17(23)15-9-4-5-10-16(15)22-14-8-6-7-13(12-14)18(19,20)21/h4-10,12,22H,2-3,11H2,1H3

InChIKey

JDLSRXWHEBFHNC-UHFFFAOYSA-N

LogP

5.405900000000003

Topological Polar Surface Area

38.33 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

400

Safety Information

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GHS Hazard Pictograms

H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Synonyms & References

English

BENZOIC ACID, 2-((3-(TRIFLUOROMETHYL)PHENYL)AMINO)-, BUTYL ESTER
UNII-8Z7O7C1SLZ
DTXSID30867269
ETOFENAMATE IMPURITY B [EP IMPURITY]
CCG-267880
Butyl flufenamate
AC-22582
HY-100009
Butyl o-((m-(trifluoromethyl)phenyl)amino)benzoate
Combec
Butyl 2-[[3-(Trifluoromethyl)phenyl]-amino]benzoate; Etofenamate Imp. B (EP); Butyl Flufenamate; Etofenamate Impurity B
N-(alpha,alpha,alpha-Trifluoro-m-tolyl)anthranilic acid butyl ester
BCP20289
N-(3-Trifluoromethylphenyl)anthranilic Acid Butyl Ester
Butyl 2-[[3-(trifluoromethyl)phenyl]amino]benzoat
n-Butyl N-(3-trifluoromethylphenyl)anthranilate
BRN 2768727
Q7877498
ufenamate
Butylflufenamat
Combec (TN)
BUTYL N-(.ALPHA.,.ALPHA.,.ALPHA.-TRIFLUORO-M-TOLYL)ANTHRANILATE
UFENAMATE [MART.]
Flufenamic acid butyl ester;Butyl flufenamate
Butyl 2-((3-(trifluoromethyl)phenyl)amino)benzoate
D01823
Ufenamato
UFENAMATE [JAN]
SCHEMBL36095
8Z7O7C1SLZ
CS-5536

MDL Number

MFCD00866001

FAQ

What are the physical and chemical properties of Butyl 2-{[3-(trifluoromethyl)phenyl]amino}benzoate (CAS: 67330-25-0)?

Butyl 2-{[3-(trifluoromethyl)phenyl]amino}benzoate (CAS: 67330-25-0) is a crystalline solid with a molecular weight of approximately 383.36 g/mol. It has a low solubility in water but is soluble in common organic solvents like ethanol and acetone. The compound shows moderate reactivity in acidic and basic environments and is stable under normal storage conditions.

How is Butyl 2-{[3-(trifluoromethyl)phenyl]amino}benzoate (CAS: 67330-25-0) typically synthesized?

Butyl 2-{[3-(trifluoromethyl)phenyl]amino}benzoate (CAS: 67330-25-0) is typically synthesized through a multistep process involving the coupling of 2-aminobenzoic acid and 3-(trifluoromethyl)aniline with butyl chloroformate as the coupling agent. The reaction conditions usually include the use of a suitable base like triethylamine and a solvent such as dichloromethane. The yield of the reaction is generally around 75-80%.

What industries use Butyl 2-{[3-(trifluoromethyl)phenyl]amino}benzoate (CAS: 67330-25-0)?

Butyl 2-{[3-(trifluoromethyl)phenyl]amino}benzoate (CAS: 67330-25-0) is primarily used in the pharmaceutical industry for the synthesis of certain drug intermediates. It also finds applications in the polymer industry for improving the thermal stability of polymers. Additionally, it can be used in the development of sensors and as a component in some semiconductor materials.

What precautions should be taken when handling Butyl 2-{[3-(trifluoromethyl)phenyl]amino}benzoate (CAS: 67330-25-0)?

When handling Butyl 2-{[3-(trifluoromethyl)phenyl]amino}benzoate (CAS: 67330-25-0), it is important to wear 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 heat sources and direct sunlight. Spills should be handled carefully and cleaned up using appropriate absorbent materials. Always refer to the Safety Data Sheet (SDS) for detailed handling and disposal information.