ChemicalBook > CAS DataBase List > 6-(TRIFLUOROMETHYL)-1H-INDAZOLE

6-(TRIFLUOROMETHYL)-1H-INDAZOLE

Product Name
6-(TRIFLUOROMETHYL)-1H-INDAZOLE
CAS No.
954239-22-6
Chemical Name
6-(TRIFLUOROMETHYL)-1H-INDAZOLE
Synonyms
6-(TRIFLUOROMETHYL)INDAZOLE;6-(TRIFLUOROMETHYL)-1H-INDAZOLE;1H-Indazole, 6-(trifluoromethyl)-
CBNumber
CB4798211
Molecular Formula
C8H5F3N2
Formula Weight
186.13
MOL File
954239-22-6.mol
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6-(TRIFLUOROMETHYL)-1H-INDAZOLE Property

Boiling point:
268.5±35.0 °C(Predicted)
Density 
1.447±0.06 g/cm3(Predicted)
storage temp. 
Sealed in dry,Room Temperature
pka
12.15±0.40(Predicted)
form 
crystalline powder
color 
Amber/tan
InChI
InChI=1S/C8H5F3N2/c9-8(10,11)6-2-1-5-4-12-13-7(5)3-6/h1-4H,(H,12,13)
InChIKey
PFAFARJWFBPNIN-UHFFFAOYSA-N
SMILES
N1C2=C(C=CC(C(F)(F)F)=C2)C=N1
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Safety

HS Code 
2933998090
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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

H335May cause respiratory irritation

Precautionary statements

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

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
T899265
Product name
6-(trifluoromethyl)-1h-indazole
Packaging
50mg
Price
$45
Updated
2021/12/16
SynQuest Laboratories
Product number
3H32-3-T6
Product name
6-(Trifluoromethyl)-1H-indazole
Packaging
100mg
Price
$67
Updated
2021/12/16
Apolloscientific
Product number
PC51050
Product name
6-(Trifluoromethyl)-1H-indazole
Packaging
1g
Price
$75
Updated
2021/12/16
American Custom Chemicals Corporation
Product number
HCH0044895
Product name
6-(TRIFLUOROMETHYL)-1H-INDAZOLE
Purity
95.00%
Packaging
50MG
Price
$117.6
Updated
2021/12/16
SynQuest Laboratories
Product number
3H32-3-T6
Product name
6-(Trifluoromethyl)-1H-indazole
Packaging
250mg
Price
$135
Updated
2021/12/16
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6-(TRIFLUOROMETHYL)-1H-INDAZOLE Chemical Properties,Usage,Production

Synthesis

89763-93-9

954239-22-6

The general procedure for the synthesis of 6-(trifluoromethyl)-1H-indazole using 2-fluoro-4-(trifluoromethyl)benzaldehyde as starting material was as follows: to a stirring solution of 2-fluoro-4-(trifluoromethyl)benzaldehyde (200 mg, 1.04 mmol, 1.0 eq.) in THF (5 mL) at room temperature was added NH2OMe (174 mg, 2.08 mmol 2.0 eq.). The reaction mixture was stirred at room temperature for 3 h. After stirring, (NH2)2-H2O (67 mg, 2.08 mmol, 2.0 eq.) was added, followed by refluxing the mixture for 3 h. The reaction was completed with a solution of saturated NH2OMe (5 mL). Upon completion of the reaction, the reaction was quenched with saturated aqueous Na2S2O3 and extracted with EtOAc. The organic phase was dried over MgSO4 and concentrated under reduced pressure to give the crude product. The crude product was purified by Yamazen automated chromatography using Hex:EtOAc = 9:1 as eluent to yield 6-(trifluoromethyl)-1H-indazole (121 mg, 37% yield) as a colorless solid. The structure of the product was confirmed by 1H NMR (300 MHz, CDCl3) and MS (ESI): 1H NMR δ 10.57 (1H, br s), 8.18 (1H, s), 7.89 (1H, dd, J = 9.0,0.5 Hz), 7.42 (1H, dd, J = 9.0,3.0 Hz); MS (ESI) m/z 203 [(M + Na)+], retention time 1.00 min (condition A).

References

[1] Bioorganic and Medicinal Chemistry Letters, 2018, vol. 28, # 14, p. 2408 - 2412

6-(TRIFLUOROMETHYL)-1H-INDAZOLE Preparation Products And Raw materials

Raw materials

Preparation Products

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View Lastest Price from 6-(TRIFLUOROMETHYL)-1H-INDAZOLE manufacturers

Career Henan Chemical Co
Product
6-(TRIFLUOROMETHYL)-1H-INDAZOLE 954239-22-6
Price
US $1.00/KG
Min. Order
1KG
Purity
99%
Supply Ability
Customized
Release date
2019-12-18

954239-22-6, 6-(TRIFLUOROMETHYL)-1H-INDAZOLERelated Search:

5-BROMO-3-HYDROXY (1H)INDAZOLE 5-Chloro-1-methyl-1H-indazole 3,5-DICHLORO (1H)INDAZOLE 4-METHOXY (1H)INDAZOLE ethyl 6-(trifluoromethyl)-1H-indazole-3-carboxylate 3-BROMO-6-(TRIFLUOROMETHYL) (1H)INDAZOLE 3-CHLORO-6-(TRIFLUOROMETHYL) (1H)INDAZOLE 4-BROMO-3-IODO-6-(TRIFLUOROMETHYL) (1H)INDAZOLE 6-(TRIFLUOROMETHYL)-1H-INDAZOLE 3-IODO-6-(TRIFLUOROMETHYL) (1H)INDAZOLE 3-HYDROXY-6-TRIFLUROMETHYL (1H)INDAZOLE 3-AMINO-6-(TRIFLUOROMETHYL)-1H-INDAZOLE 3,4-DIBROMO-6-TRIFLUOROMETHYL (1H)INDAZOLE 6-TRIFLUOROMETHYL-1H-INDAZOLE-3-CARBOXYLIC ACID METHYL ESTER 6-(TRIFLUOROMETHYL)-1H-INDAZOLE-3-CARBOXYLIC ACID 6-(TRIFLUOROMETHYL)-4-BROMO INDAZOLE 6-TRIFLUOROMETHYL-1H-INDAZOLE-3-CARBALDEHYDE 3-CYANO-6-TRIFLUOROMETHYLINDAZOLE

  • 6-(TRIFLUOROMETHYL)INDAZOLE
  • 6-(TRIFLUOROMETHYL)-1H-INDAZOLE
  • 1H-Indazole, 6-(trifluoromethyl)-
  • 954239-22-6