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(2Z)-4-Oxo-4-[3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-7(8H)-yl]-1-(2,4,5-trifluorophenyl)butan-2-one

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(2Z)-4-Oxo-4-[3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-7(8H)-yl]-1-(2,4,5-trifluorophenyl)butan-2-one

EINECS
CAS No. 764667-65-4 Density 1.607 g/cm3
Solubility Melting Point 82-84°C
Formula C16H12F6N4O2 Boiling Point 513.902 °C at 760 mmHg
Molecular Weight 406.28 Flash Point 264.598 °C
Transport Information Appearance brown oil
Safety Risk Codes
Molecular Structure Molecular Structure of 764667-65-4 ((2Z)-4-Oxo-4-[3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-7(8H)-yl]-1-(2,4,5-trifluorophenyl)butan-2-one) Hazard Symbols
Synonyms

1,2,4-Triazolo[4,3-a]pyrazine,7-[1,3-dioxo-4-(2,4,5-trifluorophenyl)butyl]-5,6,7,8-tetrahydro-3-(trifluoromethyl)-(9CI);4-Oxo-4-[3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-1-(2,4,5-trifluorophenyl)butan-2-one;7-[1,3-Dioxo-4-(2,4,5-trifluorophenyl)butyl]-3-trifluoromethyl-5,6,7,8-tetrahydro-1,2,4-triazolo[4,3-a]pyrazine;

 

(2Z)-4-Oxo-4-[3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-7(8H)-yl]-1-(2,4,5-trifluorophenyl)butan-2-one Production

 1.607 g/cm3

(2Z)-4-Oxo-4-[3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-7(8H)-yl]-1-(2,4,5-trifluorophenyl)butan-2-one Specification

The (2Z)-4-Oxo-4-[3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-7(8H)-yl]-1-(2,4,5-trifluorophenyl)butan-2-one with the cas number 764667-65-4. It is also called (1)1,3-butanedione, 1-[5,6-dihydro-3-(trifluoromethyl)-1,2,4-triazolo[4,3-a]pyrazin-7(8H)-yl]-4-(2,4,5-trifluorophenyl)- ; (2)1,3-butanedione, 1-[5,6-dihydro-3-(trifluoromethyl)-1,2,4-triazolo[4,3-a]pyrazin-7(8H)-yl]-4-(2,4,5-trifluorophenyl)- ; (3)(2Z)-4-Oxo-4-[3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-7(8H)-yl]-1-(2,4,5-trifluorophenyl)butan-2-one 

 Properties of (2Z)-4-Oxo-4-[3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-7(8H)-yl]-1-(2,4,5-trifluorophenyl)butan-2-one:(1)ACD/LogP: 2.42 ; (2)# of Rule of 5 Violations: 0 ; (3)ACD/LogD (pH 5.5): 1 ; (4)ACD/LogD (pH 7.4): 1 ; (5)ACD/BCF (pH 5.5): 8 ; (6)ACD/BCF (pH 7.4): 8 ; (7)ACD/KOC (pH 5.5): 149 ; (8)ACD/KOC (pH 7.4): 149 ; (9)#H bond acceptors: 6 ; (10)#H bond donors: 0 ; (11)#Freely Rotating Bonds: 4 ; (12)Polar Surface Area: 68.09 Å2 ; (13)Index of Refraction: 1.58 ; (14)Molar Refractivity: 84.117 cm3 ; (15)Molar Volume: 252.865 cm3 ; (16)Polarizability: 33.347 ×10-24cm3 ; (17)Surface Tension: 41.752 dyne/cm ; (18)Density: 1.607 g/cm3 ; (19)Flash Point: 264.598 °C ; (20)Enthalpy of Vaporization: 78.542 kJ/mol ; (21)Boiling Point: 513.902 °C at 760 mmHg ; (22)Vapour Pressure: 0 mmHg at 25°C

You can still convert the following datas into molecular structure :
1. SMILES: Fc1cc(c(F)cc1F)CC(=O)CC(=O)N3Cc2nnc(n2CC3)C(F)(F)F
2. InChI: InChI=1/C16H12F6N4O2/c17-10-6-12(19)11(18)4-8(10)3-9(27)5-14(28)25-1-2-26-13(7-25)23-24-15(26)16(20,21)22/h4,6H,1-3,5,7H2

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