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Cas Database |
| Name |
5-Pyrimidinecarboxylicacid, 1,6-dihydro-6-oxo-2-(trifluoromethyl)-, ethyl ester |
EINECS | N/A |
| CAS No. | 343-67-9 | Density | 1.5 g/cm3 |
| PSA | 72.31000 | LogP | 1.37770 |
| Solubility | N/A | Melting Point |
315-316 °C |
| Formula | C8H7F3N2O3 | Boiling Point | 220.8 °C at 760 mmHg |
| Molecular Weight | 236.15 | Flash Point | 87.4 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | 3/7/9-37/39 | Risk Codes | 48-20/21/22 |
| Molecular Structure |
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Hazard Symbols |
 Xi
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| Synonyms |
5-Pyrimidinecarboxylicacid, 1,4-dihydro-4-oxo-2-(trifluoromethyl)-, ethyl ester (9Cl);5-Pyrimidinecarboxylic acid, 4-hydroxy-2-(trifluoromethyl)-, ethyl ester(6Cl,8Cl);Ethyl 2-trifluoromethyl-4-oxopyrimidine-5-carboxylate;AC1NN6OP;Ethyl 4-hydroxy-2-(trifluoromethyl)pyrimidine-5-carboxylate;CID5063336;Ethyl 4-oxo-2-(trifluoromethyl)-3H-pyrimidine-5-carboxylate;TC-061863; |
Article Data | 8 |
5-Pyrimidinecarboxylicacid, 1,6-dihydro-6-oxo-2-(trifluoromethyl)-, ethyl ester Specification
The 5-Pyrimidinecarboxylicacid, 1,6-dihydro-6-oxo-2-(trifluoromethyl)-, ethyl ester with CAS registry number of 343-67-9 is also known as 5-Pyrimidinecarboxylicacid, 1,4-dihydro-4-oxo-2-(trifluoromethyl)-, ethyl ester (9Cl). The IUPAC name is Ethyl 6-oxo-2-(trifluoromethyl)-1H-pyrimidine-5-carboxylate. In addition, the formula is C8H7F3N2O3 and the molecular weight is 236.15.
Physical properties about 5-Pyrimidinecarboxylicacid, 1,6-dihydro-6-oxo-2-(trifluoromethyl)-, ethyl ester are: (1)ACD/LogP: 0.83; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 10.65; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 5; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 3; (9)Index of Refraction: 1.499; (10)Molar Refractivity: 46.02 cm3; (11)Molar Volume: 156.6 cm3; (12)Surface Tension: 37 dyne/cm; (13)Density: 1.5 g/cm3; (14)Flash Point: 87.4 °C; (15)Enthalpy of Vaporization: 47.59 kJ/mol; (16)Boiling Point: 220.8 °C at 760 mmHg; (17)Vapour Pressure: 0.0747 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
1. Canonical SMILES: CCOC(=O)C1=CN=C(NC1=O)C(F)(F)F
2. InChI: InChI=1S/C8H7F3N2O3/c1-2-16-6(15)4-3-12-7(8(9,10)11)13-5(4)14/h3H,2H2,1H3,(H,12,13,14)
3. InChIKey: QTKCIBZWYLMGRS-UHFFFAOYSA-N
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