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486460-21-3

Basic Information
CAS No.: 486460-21-3
Name: 3-(Trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine hydrochloride
Article Data: 17
Molecular Structure:
Molecular Structure of 486460-21-3 (3-(Trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine hydrochloride)
Formula: C6H7F3N4
Molecular Weight: 192.144
Synonyms: 3-Trifluoromethyl-5,6-dihydro-8H-[1,2,4]triazolo[4,3-a]pyrazine;1,2,4-Triazolo[4,3-a]pyrazine,5,6,7,8-tetrahydro-3-(trifluoromethyl)-;
EINECS: 207-753-6
Density: 1.729 g/cm3
Melting Point: 236-246oC
Boiling Point: 266.153 °C at 760 mmHg
Flash Point: 114.766 °C
Hazard Symbols: IrritantXi
PSA: 42.74000
LogP: 0.72890
Raw Materials
486460-20-2
Downstream Products
764667-65-4
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Chemistry


Systematic Name: 3-(Trifluoromethyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazine
SMILES: FC(F)(F)c1nnc2n1CCNC2
InChI: InChI=1/C6H7F3N4/c7-6(8,9)5-12-11-4-3-10-1-2-13(4)5/h10H,1-3H2 
InChIKey: FMTDZGCPYKWMPT-UHFFFAOYAE 
Molecular Formula: C6H7F3N4
Molecular Weight: 192.14 
H bond acceptors: 4
H bond donors: 1
Freely Rotating Bonds: 0 
Index of Refraction: 1.607
Molar Refractivity: 38.358 cm3
Molar Volume: 111.126 cm3 
Surface Tension: 43.402 dyne/cm
Density: 1.729 g/cm3
Flash Point: 114.766 °C
Enthalpy of Vaporization: 50.412 kJ/mol
Boiling Point: 266.153 °C at 760 mmHg
Vapour Pressure: 0.009 mmHg at 25 °C
Product Categories of 3-(Trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine hydrochloride (CAS NO.486460-21-3): Amines and Anilines; Heterocycles; Heterocyclic Building Blocks

Safety Profile

Hazard Codes: IrritantXi 

Specification

  3-(Trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine hydrochloride (CAS NO.486460-21-3), its Synonyms are TAP-4 (Sitagliptin Intermediate) ; 3-Trifluoro methyl-[1,2,4]triazole[4,3-a]piperazine ; 1,2,4-Triazolo[4,3-a]pyrazine, 5,6,7,8-tetrahydro-3-(trifluoromethyl)- .