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129768-30-5

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129768-30-5 Structure

129768-30-5 Structure
IdentificationBack Directory
[Name]

5-TRIFLUOROMETHYL-2H-PYRAZOLE-3-CARBOXYLIC ACID ETHYL ESTER
[CAS]

129768-30-5
[Synonyms]

RF 04185
IDI1_016629
ZINC00077581
Maybridge3_005242
Ethyl 3-(Trifluoromethyl)pyrazole-5-carboxylate
ethyl 3-(trifluoromethyl)-1H-pyrazole-5-carboxylate
ethyl 5-(trifluoromethyl)-1H-pyrazole-3-carboxylate
5-TRIFLUOROMETHYL-2H-PYRAZOLE-3-CARBOXYLIC ACID ETHYL ESTER
5-(trifluoromethyl)-1H-pyrazole-3-carboxylic acid ethyl ester
[Molecular Formula]

C7H7F3N2O2
[MDL Number]

MFCD04111238
[MOL File]

129768-30-5.mol
[Molecular Weight]

208.14
Chemical PropertiesBack Directory
[Melting point ]

95°
[Boiling point ]

288.5±40.0 °C(Predicted)
[density ]

1.397±0.06 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,Room Temperature
[form ]

Solid
[pka]

7.60±0.10(Predicted)
[color ]

White
[Water Solubility ]

Slightly soluble in water.
[InChI]

InChI=1S/C7H7F3N2O2/c1-2-14-6(13)4-3-5(12-11-4)7(8,9)10/h3H,2H2,1H3,(H,11,12)
[InChIKey]

AKFFNTKRAYWFRN-UHFFFAOYSA-N
[SMILES]

N1C(C(F)(F)F)=CC(C(OCC)=O)=N1
[CAS DataBase Reference]

129768-30-5
Safety DataBack Directory
[HazardClass ]

IRRITANT
[HS Code ]

2933119000
Hazard InformationBack Directory
[Uses]

Employed as a intermediate for pharmaceutical.
[Synthesis Reference(s)]

Tetrahedron Letters, 33, p. 6161, 1992 DOI: 10.1016/S0040-4039(00)60032-1
Spectrum DetailBack Directory
[Spectrum Detail]

5-TRIFLUOROMETHYL-2H-PYRAZOLE-3-CARBOXYLIC ACID ETHYL ESTER(129768-30-5)1HNMR
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