ChemicalBook--->CAS DataBase List--->83265-53-6

83265-53-6

83265-53-6 Structure

83265-53-6 Structure
IdentificationBack Directory
[Name]

2-AMINO-5-TRIFLUOROMETHYL-BENZOIC ACID
[CAS]

83265-53-6
[Synonyms]

PO-081211
BUTTPARK 24\07-92
4-Amino-3-carboxybenzotrifluoride
2-Amino-5-trifuloromethylbenzoic acid
2-AMINO-5-TRIFLUOROMETHYL-BENZOIC ACID
Benzoic acid, 2-amino-5-(trifluoromethyl)-
2-Amino-5-(trifluoromethyl)benzoicacid,95%
2-Amino-5-(trifluoromethyl)benzoic acid 98%
4-Amino-3-carboxybenzotrifluoride, 2-Carboxy-4-(trifluoromethyl)aniline
[EINECS(EC#)]

207-163-9
[Molecular Formula]

C8H6F3NO2
[MDL Number]

MFCD01569537
[MOL File]

83265-53-6.mol
[Molecular Weight]

205.134
Chemical PropertiesBack Directory
[Melting point ]

141-146℃
[Boiling point ]

301.6±42.0 °C(Predicted)
[density ]

1.489±0.06 g/cm3(Predicted)
[Fp ]

>110°(230°F)
[storage temp. ]

under inert gas (nitrogen or Argon) at 2–8 °C
[form ]

Solid
[pka]

4.51±0.10(Predicted)
[Appearance]

White to light yellow Solid
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P280a-P304+P340-P305+P351+P338-P405-P501a
[Hazard Codes ]

Xi
[Hazard Note ]

Irritant
[HS Code ]

2916399090
Hazard InformationBack Directory
[Uses]

2-amino-5-(trifluoromethyl)benzoic Acid is a benzoic acid derivative whose molecular structure contains substituents amino and trifluoromethyl at positions 2 and 5. The substance can be used to prepare small molecule inhibitors or anticancer drugs, and is widely used in fields such as chemical or pharmaceutical manufacturing.
[Synthesis]

2-Nitro-5-(trifluoromethyl)benzoic acid

1214373-54-2

2-AMINO-5-TRIFLUOROMETHYL-BENZOIC ACID

83265-53-6

Step 2 Synthesis of 2-amino-5-(trifluoromethyl)benzoic acid: 2-nitro-5-(trifluoromethyl)benzoic acid (1.2 g, 4.78 mmol) was suspended in ethanol (10 mL) and 10% Pd/C catalyst (120 mg) was added. The hydrogenation reaction was carried out at room temperature and atmospheric pressure for 1 hour. Upon completion of the reaction, the catalyst was removed by filtration through a diatomaceous earth pad and the filtrate was concentrated to afford 2-amino-5-(trifluoromethyl)benzoic acid (900 mg, 85.2% yield) as a pale white solid. The resulting product could be used in subsequent reactions without further purification.

[References]

[1] Patent: WO2016/23826, 2016, A1. Location in patent: Page/Page column 52; 53
Spectrum DetailBack Directory
[Spectrum Detail]

2-AMINO-5-TRIFLUOROMETHYL-BENZOIC ACID(83265-53-6)1HNMR
2-AMINO-5-TRIFLUOROMETHYL-BENZOIC ACID(83265-53-6)FT-IR
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