304693-64-9

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304693-64-9 Structure

Identification	Back Directory
[Name] ETHYL 2-(TRIFLUOROMETHYL)PYRIMIDINE-5-CARBOXYLATE
[CAS] 304693-64-9
[Synonyms] Ethyl 2-(trifluoromethyl) 5-(Ethoxycarbonyl)-2-(trifluoromethyl)pyrimidine ETHYL 2-(TRIFLUOROMETHYL)PYRIMIDINE-5-CARBOXYLATE 5-PYRIMIDINECARBOXYLIC ACID, 2-(TRIFLUOROMETHYL)-, ETHYL ESTER ETHYL 2-(TRIFLUOROMETHYL)PYRIMIDINE-5-CARBOXYLATE ISO 9001：2015 REACH
[Molecular Formula] C8H7F3N2O2
[MDL Number] MFCD09754048
[MOL File] 304693-64-9.mol
[Molecular Weight] 220.149

Chemical Properties	Back Directory
[Melting point ] 65 °C
[Boiling point ] 194℃
[density ] 1.344
[Fp ] 71℃
[storage temp. ] Inert atmosphere,2-8°C
[form ] powder
[pka] -3.50±0.22(Predicted)
[color ] Yellow
[InChI] InChI=1S/C8H7F3N2O2/c1-2-15-6(14)5-3-12-7(13-4-5)8(9,10)11/h3-4H,2H2,1H3
[InChIKey] LRUCUGOOQHJEQP-UHFFFAOYSA-N
[SMILES] C1(C(F)(F)F)=NC=C(C(OCC)=O)C=N1

Safety Data	Back Directory
[Symbol(GHS) ] GHS07
[Signal word ] Warning
[Hazard statements ] H302+H312+H332-H315-H319-H335
[Precautionary statements ] P260-P280-P271
[HS Code ] 2933599590

Raw materials And Preparation Products	Back Directory
[Raw materials] Ethanol-->Ethyl acetate-->Diethyl ether-->Dichloromethane-->Sodium hydride-->Silica gel-->Trifluoroacetamidine-->Ethyl 3,3-Diethoxypropionate

Hazard Information	Back Directory
[Uses] Ethyl 2-(Trifluoromethyl)pyrimidine-5-carboxylate is used to prepare NF-κB and AP-1 gene inhibitors.

Spectrum Detail	Back Directory
[Spectrum Detail] ETHYL 2-(TRIFLUOROMETHYL)PYRIMIDINE-5-CARBOXYLATE(304693-64-9)¹HNMR ETHYL 2-(TRIFLUOROMETHYL)PYRIMIDINE-5-CARBOXYLATE(304693-64-9)¹⁹FNMR

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