-
Name
2-Amino-3,5,6-trifluoro-4-pyridinecarboxylicacidethylester
- EINECS
- CAS No. 259675-84-8
- Density 1.449 g/cm3
- Solubility
- Melting Point
- Formula C8H7F3N2O2
- Boiling Point 317.219 °C at 760 mmHg
- Molecular Weight 220.151
- Flash Point 145.649 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms 2-Amino-3,5,6-trifluoro-4-pyridinecarboxylic acid ethyl ester;
- PSA 65.21000
- LogP 1.83900
4-Pyridinecarboxylicacid, 2-amino-3,5,6-trifluoro-, ethyl ester Specification
The CAS register number of 4-Pyridinecarboxylicacid, 2-amino-3,5,6-trifluoro-, ethyl ester is 259675-84-8. The systematic name about this chemical is ethyl 2-amino-3,5,6-trifluoro-pyridine-4-carboxylate. The molecular formula about this chemical is C8H7F3N2O2 and the molecular weight is 220.150989. It belongs to the following product category which includes Pyridine.
Physical properties about 4-Pyridinecarboxylicacid, 2-amino-3,5,6-trifluoro-, ethyl ester are: (1)ACD/LogP: 1.15; (2)ACD/LogD (pH 5.5): 1.146; (3)ACD/LogD (pH 7.4): 1.146; (4)ACD/BCF (pH 5.5): 4.375; (5)ACD/BCF (pH 7.4): 4.375; (6)ACD/KOC (pH 5.5): 100.101; (7)ACD/KOC (pH 7.4): 100.101; (8)#H bond acceptors: 4; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 65.21 Å2; (12)Index of Refraction: 1.504; (13)Molar Refractivity: 44.968 cm3; (14)Molar Volume: 151.966 cm3; (15)Polarizability: 17.827x10-24cm3; (16)Surface Tension: 44.848 dyne/cm; (17)Density: 1.449 g/cm3; (18)Flash Point: 145.649 °C; (19)Enthalpy of Vaporization: 55.861 kJ/mol; (20)Boiling Point: 317.219 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: CCOC(=O)c1c(c(nc(c1F)F)N)F
(2)InChI: InChI=1/C8H7F3N2O2/c1-2-15-8(14)3-4(9)6(11)13-7(12)5(3)10/h2H2,1H3,(H2,12,13)
(3)InChIKey: UPKXZLOECBXQAY-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C8H7F3N2O2/c1-2-15-8(14)3-4(9)6(11)13-7(12)5(3)10/h2H2,1H3,(H2,12,13)
(5)Std. InChIKey: UPKXZLOECBXQAY-UHFFFAOYSA-N
Related Products
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- 4-Pyridinecarboxylicacid, 2-[(methylamino)carbonyl]-, ethyl ester
- 4-Pyridinecarboxylicacid, 2-amino-3,5,6-trifluoro-, ethyl ester
- 4-Pyridinecarboxylicacid, 2-chloro-3-hydroxy-
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