ChemicalBook > CAS DataBase List > 3-(5-(Trifluoromethyl)-1,2,4-oxadiazol-3-yl)benzoicacid

3-(5-(Trifluoromethyl)-1,2,4-oxadiazol-3-yl)benzoicacid

Product Name
3-(5-(Trifluoromethyl)-1,2,4-oxadiazol-3-yl)benzoicacid
CAS No.
1092400-82-2
Chemical Name
3-(5-(Trifluoromethyl)-1,2,4-oxadiazol-3-yl)benzoicacid
Synonyms
3-(5-(Trifluoromethyl);-1,2,4-oxadiazol-3-yl);thiophene-2,5-diyldiMethanol;3-(5-(Trifluoromethyl)-1,2,4-oxadiazol-3-yl)benzoicacid;Benzoic acid, 3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-
CBNumber
CB02489654
Molecular Formula
C10H5F3N2O3
Formula Weight
258.15
MOL File
1092400-82-2.mol
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3-(5-(Trifluoromethyl)-1,2,4-oxadiazol-3-yl)benzoicacid Property

Melting point:
114-117℃
Boiling point:
365℃
Density 
1.45
Flash point:
175℃
storage temp. 
2-8°C
pka
3.54±0.10(Predicted)
Appearance
White to off-white Solid
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Safety

HS Code 
2916399090
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Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal word
Warning
Hazard statements

H302Harmful if swallowed

H315Causes skin irritation

H319Causes serious eye irritation

H332Harmful if inhaled

H335May cause respiratory irritation

Precautionary statements

P261Avoid breathing dust/fume/gas/mist/vapours/spray.

P280Wear protective gloves/protective clothing/eye protection/face protection.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

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N-Bromosuccinimide Price

TRC
Product number
T797283
Product name
3-(5-(Trifluoromethyl)-1,2,4-oxadiazol-3-yl)benzoicAcid
Packaging
50mg
Price
$45
Updated
2021/12/16
Apolloscientific
Product number
PC210001
Product name
3-[5-(Trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzoicacid
Packaging
500mg
Price
$425
Updated
2021/12/16
SynQuest Laboratories
Product number
4H58-3-0F
Product name
3-[5-(Trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzoic acid
Packaging
500mg
Price
$680
Updated
2021/12/16
AK Scientific
Product number
1808AA
Product name
3-(5-(Trifluoromethyl)-1,2,4-oxadiazol-3-yl)benzoicacid
Packaging
1g
Price
$698
Updated
2021/12/16
Matrix Scientific
Product number
115212
Product name
3-[5-(Trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzoic acid
Purity
>97%
Packaging
500mg
Price
$808
Updated
2021/12/16
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3-(5-(Trifluoromethyl)-1,2,4-oxadiazol-3-yl)benzoicacid Chemical Properties,Usage,Production

Synthesis

199447-10-4

407-25-0

1092400-82-2

3-(N-hydroxyformamidinyl)benzoic acid (1 g, 5.6 mmol) was dissolved in anhydrous pyridine (15 mL) and cooled to 0 °C. Trifluoroacetic anhydride (2.3 mL, 16.7 mmol) was added slowly and dropwise. After the reaction mixture was gradually warmed to room temperature, it was further heated to 50 °C and the reaction was maintained for 3 hours. After completion of the reaction, the mixture was poured into ice water and the pH was adjusted to 4 with 1.5 N HCl. The product was extracted with EtOAc and concentrated under reduced pressure to remove the solvent. The crude product was purified by column chromatography (silica gel 60-120 mesh, eluent: 10% EtOAc/petroleum ether) to afford the target compound 3-(5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl)benzoic acid (400 mg, 28% yield). The product was confirmed by 1H NMR (400 MHz, CDCl3): δ 13.44 (br s, 1H), 8.56 (s, 1H), 8.30 (d, J=7.9 Hz, 1H), 8.21 (d, J=7.9 Hz, 1H), 7.78 (t, J=7.8 Hz, 1H). Mass spectrometry (ESI) analysis: m/z calculated value of C10H5F3N2O3 was 258.03; measured value 257 (M-H).

References

[1] Patent: WO2013/6408, 2013, A1. Location in patent: Page/Page column 39; 40
[2] Patent: EP2533783, 2015, B1. Location in patent: Paragraph 0136-0137
[3] Patent: WO2017/112838, 2017, A1. Location in patent: Paragraph 87

3-(5-(Trifluoromethyl)-1,2,4-oxadiazol-3-yl)benzoicacid Preparation Products And Raw materials

Raw materials

Preparation Products

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View Lastest Price from 3-(5-(Trifluoromethyl)-1,2,4-oxadiazol-3-yl)benzoicacid manufacturers

Career Henan Chemical Co
Product
3-(5-(Trifluoromethyl)-1,2,4-oxadiazol-3-yl)benzoicacid 1092400-82-2
Price
US $1.00/KG
Min. Order
1KG
Purity
99%
Supply Ability
20kg
Release date
2018-08-07

1092400-82-2, 3-(5-(Trifluoromethyl)-1,2,4-oxadiazol-3-yl)benzoicacidRelated Search:


  • 3-(5-(Trifluoromethyl)-1,2,4-oxadiazol-3-yl)benzoicacid
  • -1,2,4-oxadiazol-3-yl)
  • 3-(5-(Trifluoromethyl)
  • thiophene-2,5-diyldiMethanol
  • Benzoic acid, 3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-
  • 1092400-82-2