Ethyl 3-(trifluoromethyl)pyrazole-4-carboxylate
CAS: 155377-19-8
Ref. 3D-FE11392
| 2g | Discontinued | ||
| 5g | Discontinued | ||
| 10g | Discontinued | ||
| 25g | Discontinued | ||
| 50g | Discontinued |
Product Information
Name:
Ethyl 3-(trifluoromethyl)pyrazole-4-carboxylate
Synonyms:
- 3-(Trifluoromethyl)pyrazole-4-carboxylic acid ethyl ester
- 4-Iodo-3-(Trifluoromethyl)Aniline
- 1H-Pyrazole-4-Carboxylicacid, 3-(Trifluoromethyl)-
Description:
Ethyl 3-(trifluoromethyl)pyrazole-4-carboxylate is an organic compound with the formula CH(CF). It is a colorless liquid that has been shown to inhibit the growth of Mycobacterium tuberculosis. The crystal structure of ethyl 3-(trifluoromethyl)pyrazole-4-carboxylate has been determined by X-ray crystallography and refined to an R value of 0.038. The structure was found to be monoclinic, space group P2 1 /c, with unit cell dimensions a = 12.814(3) Å, b = 7.902(1) Å, c = 8.085(2) Å and β = 106.9°.BR>BR>
The molecular geometry around the pyrazole ring is characterized by a dihedral angle between the two phenyl rings of -24°.
Notice:
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Brand:
Biosynth
Long term storage:
Notes:
Chemical properties
Molecular weight:
208.14 g/mol
Formula:
C7H7F3N2O2
Purity:
Min. 95%
InChI:
InChI=1S/C7H7F3N2O2/c1-2-14-6(13)4-3-11-12-5(4)7(8,9)10/h3H,2H2,1H3,(H,11,12)
InChI key:
InChIKey=VYXIHSAEOXPAEY-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cn[nH]c1C(F)(F)F
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